[gmx-users] Warning: atom is missing in residue

2014-02-14 Thread Ehsan Sadeghi
Hi gmx users, When I run gromacs, there is an issue with the molecules with more than one residue. for example, for this pdb file: ATOM 1 C1 VOD 0 8.441 1.158 0.141 1.00 0.00 C ATOM 2 H1 VOD 0 9.420 1.340 0.570 1.00 0.00 H

Re: [gmx-users] OPLS force field parameters

2013-12-13 Thread Ehsan Sadeghi
, Ehsan Sadeghi es...@sfu.ca wrote: 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. [ NAF ] [ atoms ] C1