[gmx-users] Re: Problem with Amber99SB-ILDN ff

Melchor S. 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

View this message in context: http://gromacs.5086.x6.nabble.com/Problem-with-Amber99SB-ILDN-ff-tp5009641p5009648.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.

More information about the gromacs.org_gmx-users mailing list