Re: [gmx-users] bonds rotating more than 30 and segmentation fault.

you may want to have a look at the cutoff used by the force field you defined your molecule in! 0.5 is definitely too small. did you minimized? if your starting configuration does not correspond to the topology, the use of position restrains (-DPOSRES) if you actually define them will be

[gmx-users] bonds rotating more than 30 and segmentation fault.

Dear users, I am trying to simulate a non protein molecule and have included the necessary parameters in the ff*.rtp file. I first encountered an error in the grompp step, so i modified my .mdp files such that the rlist, rvdw and rcoulomb values are set to 0.5. Now, while carrying out the mdrun for