[gmx-users] (no subject)
Justin A. Lemkul
jalemkul at vt.edu
Wed Jul 11 12:15:21 CEST 2012
On 7/11/12 6:00 AM, amir abbasi wrote:
> Hi All!
> I want to use Implicit solvent to simulate a nucleic acid sequence.
> How can I do it?
> I use this command:
> genion -s ions.tpr -o nucleic_ions.gro -p nucleic.top -pname K+ -nname
> CL -neutral -conc 0.1
> ions.tpr file is same as umbrella sampling tutorial.
> I got this error message:
> Fatal error:
> Your solvent group size (2898) is not a multiple of 31
> what should I do?
One does not typically add explicit ions in an implicit solvent system. genion
fails because it appears you are trying to replace parts of your nucleic acid
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users