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Commit a241b2d0 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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fix problems with references

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......@@ -54,7 +54,7 @@ adding atoms or molecules to the system (see the "fix
pour"_fix_pour.html, "fix deposit"_fix_deposit.html, and "fix
gcmc"_fix_gcmc.html commands) or expect atoms or molecules to be lost
(e.g. due to exiting the simulation box or via "fix
evaporation"_fix_evaporation.html), then this option should be used to
evaporate"_fix_evaporate.html), then this option should be used to
insure the temperature is correctly normalized.
NOTE: The {extra} and {dynamic} keywords should not be used as they
......
......@@ -331,10 +331,7 @@ bonds and colors.
Note that {atom}, {custom}, {dcd}, {xtc}, and {xyz} style dump files
can be read directly by "VMD"_http://www.ks.uiuc.edu/Research/vmd, a
popular molecular viewing program. See
"Section 9"_Section_tools.html#vmd of the manual and the
tools/lmp2vmd/README.txt file for more information about support in
VMD for reading and visualizing LAMMPS dump files.
popular molecular viewing program.
:line
......
......@@ -27,7 +27,7 @@ fix_modify myCMAP energy yes :pre
This command enables CMAP crossterms to be added to simulations which
use the CHARMM force field. These are relevant for any CHARMM model
of a peptide or protein sequences that is 3 or more amino-acid
residues long; see "(Buck)"_#Buck and "(Brooks)"_#Brooks for details,
residues long; see "(Buck)"_#Buck and "(Brooks)"_#Brooks2 for details,
including the analytic energy expressions for CMAP interactions. The
CMAP crossterms add additional potential energy contributions to pairs
of overlapping phi-psi dihedrals of amino-acids, which are important
......@@ -128,5 +128,5 @@ LAMMPS"_Section_start.html#start_3 section for more info on packages.
[(Buck)] Buck, Bouguet-Bonnet, Pastor, MacKerell Jr., Biophys J, 90, L36
(2006).
:link(Brooks)
:link(Brooks2)
[(Brooks)] Brooks, Brooks, MacKerell Jr., J Comput Chem, 30, 1545 (2009).
......@@ -91,7 +91,7 @@ their DOF are assumed to be constant. If you are adding atoms or
molecules to the system (see the "fix pour"_fix_pour.html, "fix
deposit"_fix_deposit.html, and "fix gcmc"_fix_gcmc.html commands) or
expect atoms or molecules to be lost (e.g. due to exiting the
simulation box or via "fix evaporation"_fix_evaporation.html), then
simulation box or via "fix evaporate"_fix_evaporate.html), then
this option should be used to insure the temperature is correctly
normalized.
......
......@@ -94,7 +94,7 @@ The newer styles with {charmmfsw} or {charmmfsh} in their name replace
the energy switching with force switching (fsw) and force shifting
(fsh) functions, for LJ and Coulombic interactions respectively.
These follow the formulas and description given in
"(Steinbach)"_#Steinbach and "(Brooks)"_#Brooks to minimize these
"(Steinbach)"_#Steinbach and "(Brooks)"_#Brooks1 to minimize these
artifacts.
NOTE: The newer {charmmfsw} or {charmmfsh} styles were released in
......@@ -248,7 +248,7 @@ the MOLECULE and KSPACE packages are installed by default.
:line
:link(Brooks)
:link(Brooks1)
[(Brooks)] Brooks, et al, J Comput Chem, 30, 1545 (2009).
:link(pair-MacKerell)
......
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