[gmx-users] OPLS force field issue
schlesi at uni-mainz.de
Fri Dec 6 21:32:51 CET 2013
if you create the topol.top with 'pdb2gmx', the values for all the
parameters are not listed in the topology. Only all the atom numbers,
from these GROMACS can search the atom- and/or bondtypes and then it
constructs the bonded parameters. If any parameters are missing 'grompp'
Am 06.12.2013 20:26, schrieb
gromacs.org_gmx-users-request at maillist.sys.kth.se:
> Hi gmx users,
> I try to use OPLS force field for my simulation. I added the following residue to the aminoacids.rtp, but when I generate the topol.top file it does not show the the bond stretching, angle bond, dihedrals. Where should I add these properties? It seems different from gromos where you can add g_a, g_b, and g_d in fbonded.itp.
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