diff --git a/tools/msi2lmp/README b/tools/msi2lmp/README index db9b1aca5efeec6f0d68dcf6539351426046f0d9..9ac7af560743a7f71853dd619ad012c778de0ef5 100644 --- a/tools/msi2lmp/README +++ b/tools/msi2lmp/README @@ -140,6 +140,8 @@ msi2lmp has the following known limitations: - there is no support for auto-equivalences to supplement fully parameterized interactions with heuristic ones - there is no support for bond increments +- there is no support for coordinates defined by symmetry operations, + i.e. the .mdf file has to be set up for space group P1 ------------------------------------------------------------------------