[gmx-users] CHARMM GUI membrane builder's assembled output
jalemkul at vt.edu
Mon Sep 23 12:46:54 CEST 2019
On 9/19/19 2:24 PM, Yogesh Sharma wrote:
> I used charmm gui's custom Membrane/protein builder to assemble components
> for MD simulation. It gave me equillibriated box. I am confused whether I
> should equllibriate box again or not? From which step should I start in
> Gromac,Energy minimization, equillibriation or Production MD?
CHARMM-GUI provides you with a series of input files for EM,
equilibration, and production runs, as well as a README file that tells
you what to do with them.
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
More information about the gromacs.org_gmx-users