[gmx-users] Re: Problem with Amber99SB-ILDN ff
msmqbm at cid.csic.es
Mon Jul 8 13:59:53 CEST 2013
For sure there are a lot of variable playing here, I only ask about the MET
for curiosity, because I am a beginner in this kind of things we can say...
I do :
pdb2gmx -f pdb.pdb -p pdb.top -o pdb.gro -water spc -his -ter -posrefc
I don't specify nothing as separate chains or so on. I will take into
account your suggestions. I will also take into account the PDB format
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