Hi again, > Yes, I did git pull and the output is this: > > remote: Counting objects: 9, done. > remote: Compressing objects: 100% (5/5), done. > remote: Total 5 (delta 4), reused 0 (delta 0) > Unpacking objects: 100% (5/5), done. >> From git://git.gromacs.org/gromacs > c358dce..b493dbb master -> origin/master > Already up-to-date. > > Still charmm does not work. Is there something wrong about the way I > included the forcefield files in the top directory, should I have changed > something else?
Hmmm, seems like you have done everything correct. If you have not renamed the force filed files the entry in FF.dat should look like this: ffcharmm27 CHARMM 27 all-atom force field and don't forget to increase the number of the first line in the file either! You could also try to run pdb2gmx with the flag -ff ffcharmm27 and see if that works (instead of selecting it interactively from FF.dat). Also take a look in the pdb2gmx output and see if any of the ffcharmm27 parameter files (I think ffcharmm27.rtp should be the first one read by pdb2gmx) are read. I did the gromacs installation myself yesterday and I got it to work. Regards, Pär
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