diff --git a/src/USER-CGSDK/README b/src/USER-CGSDK/README index b37fbd3760df16550ecabca2b82b5d54d9b46c20..535bd43ac192062e37f77d81642f46e7ac6b962a 100644 --- a/src/USER-CGSDK/README +++ b/src/USER-CGSDK/README @@ -13,23 +13,15 @@ lipids and charged amino acids. See the doc pages for these commands for details. There are example scripts for using this package in -examples/USER/cg-cmm. +examples/USER/cgsdk This is the second generation implementation reducing the the clutter of the previous version. For many systems with long range electrostatics, it will be faster to use pair_style hybrid/overlay with lj/sdk and coul/long instead of the combined lj/sdk/coul/long -style, since the number of charged atom types is usually small. To -exploit this property, the use of the kspace_style pppm/cg is -recommended over regular pppm. For all new styles, input file backward -compatibility is provided. The old implementation is still available -through appending the /old suffix. These will be discontinued and -removed after the new implementation has been fully validated. - -The current version of this package should be considered beta -quality. The CG potentials work correctly for "normal" situations, but -have not been testing with all kinds of potential parameters and -simuation systems. +style, since the number of charged atom types is usually small. +To exploit this property, the use of the kspace_style pppm/cg is +recommended over regular pppm. The person who created this package is Axel Kohlmeyer at Temple U (akohlmey at gmail.com). Contact him directly if you have questions. @@ -38,9 +30,9 @@ The person who created this package is Axel Kohlmeyer at Temple U Thanks for contributions, support and testing goes to -Wataru Shinoda (AIST, Tsukuba) +Wataru Shinoda (Nagoya University) Russell DeVane (Procter & Gamble) -Michael L. Klein (CMM / U Penn, Philadelphia) +Michael L. Klein (Temple University, Philadelphia) Balasubramanian Sundaram (JNCASR, Bangalore) -version: 0.99 / 2011-11-29 +version: 1.0 / 2017-04-26