[gmx-users] No addition of ions
aiswarya.pawar at gmail.com
Wed Sep 7 08:14:40 CEST 2011
Hi Gromacs users,
Am running a MD simulation over a protein complex and before adding the
ions. we run a grompp option then we get result as model net charge as some
integer ie if +2.00. so we got to add 2 CL ions. But when i ran my protein
for grompp it didnt give me any net charge so am not able to add any ions.
is this correct??
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users