[gmx-users] pdb2gmx
jwillcox at andrew.cmu.edu
jwillcox at andrew.cmu.edu
Wed Jan 15 16:40:50 CET 2014
Hello,
I was under the impression that pdb2gmx was supposed to referance the
force fields as defined in oplsaa.ff/forcefield.itp, but it doesn't seem
to be for me.
To double check, I removed all force field parameters from forcefield.itp
and pdb2gmx still ran and got the same result as before.
How do I make pdb2gmx referance oplsaa.ff/forcefield.itp?
Thank you!
Jon
More information about the gromacs.org_gmx-users
mailing list