[gmx-users] (no subject)
chememp at gmail.com
Wed Jul 11 12:00:02 CEST 2012
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:
Your solvent group size (2898) is not a multiple of 31
what should I do?
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