[gmx-users] Re: Steepest Descents in vacuo
jalemkul at vt.edu
Fri Jun 14 17:58:28 CEST 2013
On 6/14/13 7:22 AM, maggin wrote:
> Hi, Justin,
> If I use Pymol to set up a mutation of 1dx0.pdb, If it best do Steepest
> Descents in vacuo first ?
I have no idea. There are many ways you can probably dream up to proceed with
any system. For normal proteins in water, I never waste time with an in vacuo
minimization, unless, like I said before, I know some element of the structure
is really bad.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users