[gmx-users] generating a tpr
jalemkul at vt.edu
Thu Sep 28 02:23:02 CEST 2017
On 9/24/17 2:50 PM, Tomek Stępniewski wrote:
> As I understand this is a commond problem, but perhaps somebody has found a
> novel solutions,
> I have a pdb, and a full set of forcefields, but in charmm format (rtf
> files) as well as the corrseponding paramterer files (prm files) and the
> pdb and psf files,
> does anybody know of an easy way to generate a tpr files using the obtained
Best bet is CHARMM-GUI.
It will re-create your PSF but will generate inputs for pretty much any software.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
More information about the gromacs.org_gmx-users