On 4/25/2011 6:26 PM, Sajad Ahrari wrote:
dear users
is there any way to introduce "ADP" and "ATP" to Gromacs? my protein
holds these ligands. but they are not known to Gromacs.
Some of the GROMACS force fields have ATP.
Otherwise, the advice here
http://www.gromacs.org/Documentation/How-tos/Parameterization is
appropriate.
Mark
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