drrahulsuresh at gmail.com
Tue Mar 28 05:49:45 CEST 2017
How will I add ligand .gro file in protein .gro file to make a complex .?
On Tue, 28 Mar 2017 at 2:12 AM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 3/27/17 4:02 PM, RAHUL SURESH wrote:
> > In protein-ligand simulation using charmm36ff, how to generate gro file
> > ligand to add it to the protein gro file?
> You don't strictly need a .gro file, since GROMACS can handle PDB and other
> formats, but in short, you can convert between formats easily with
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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