On 9/29/12 11:47 PM, Elie M wrote:
Dear all,
I am trying to minimize the energy of a polymer system I have. I have successfully
modified the n2t file to include force fields for atoms that were not present. However
now I am using grompp before using mdrun (to minimize). However I have a
Dear all,
I am trying to minimize the energy of a polymer system I have. I have
successfully modified the n2t file to include force fields for atoms that were
not present. However now I am using grompp before using mdrun (to minimize).
However I have a question should the .ITP and .RTP files
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