[gmx-users] force field
jalemkul at vt.edu
Wed Dec 5 13:00:11 CET 2012
On 12/4/12 10:22 PM, cuong nguyen wrote:
> Dear gmx users,
> i have got the coordinate and topol files of nonanol from the server:
> the .gro file was download from option GROMOS87/GROMACS polar H's
> and .top file was from
> Please let me know the name of this force field?
"GROMOS87/GROMACS" indicates the GROMOS87 force field in GROMACS format. The
GROMOS87 force field is deprecated, so you probably shouldn't be using it since
far better parameter sets exist. Also note that PRODRG topologies are generally
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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