[gmx-users] oplsff- need of gro and itp file -reg
jalemkul at vt.edu
Thu Dec 6 14:59:48 CET 2012
On 12/6/12 7:06 AM, venkatesh s wrote:
> Respected gromacs people's,
> for protein and ligand complex i want use opls ff, here found mktop for
> ligand (external tool in gromacs web-page) but it only provide topology
> file only,my question is were i will get the .gro file and .itp file ?
If the program provides you with a topology, then you already have an .itp file.
There are lots of ways to create coordinate files:
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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