[gmx-users] benzamide in top directory
hjbai at pku.edu.cn
Mon Jun 19 16:51:13 CEST 2006
I find there are some small molecule's itp file in
/gromacs/share/gromacs/top/; some of them seem belong to united atom
force field, others of them seem belong to all-atom force field.
Now, the question is, most of them has no note about which force field
it belongs to, how can I know which is the compatible force field for
them, Especially for benzamide.itp --It should be include in a all-atom
force field, I want to use it together with other parameters in opls-aa
force field, will it be problematic?
HongJun Bai, graduate student,
Center for Theoretical Biology,
hjbai at ctb.pku.edu.cn
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