[gmx-users] (no subject)
sarabiocomputation at gmail.com
Tue Jul 26 17:49:35 CEST 2011
I used the genion to add a concentration and to neutalize the system in the
same time by using the
*genion -s file.tpr -conc 0.2 -neutral -o file.gro -random
so it did add the NA and Cl but it did not neutralize the system,
the net charge of the system still the same negative.
so i tried to use the genion seperate to neutralize the charge
using the file.tpr and out file as the file.gro,
however it reset the file.gro and i lose the NA And CL ions added
for the concentration.
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