[gmx-users] No addition of ions

aiswarya pawar 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??

Thanks,
Aiswarya
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