[gmx-users] why minimization stop so fast

Justin Lemkul jalemkul at vt.edu
Tue Apr 16 19:33:02 CEST 2013

On 4/16/13 1:31 PM, Albert wrote:
> On 04/16/2013 07:28 PM, Justin Lemkul wrote:
>> Create a more physically reasonable starting structure.
>> -Justin
> the protein and ligand are already minimized, but CHARMM-GUI create the mix
> lipids automatically which I cannot change them.....

Then you will have to find a better method for creating the membrane or 
otherwise determine how you might modify then one with which you've been provided.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list