Re: [gmx-users] LINCS warning in Position Restraint

Hi Om Prakash, The warnings below are serious indicators of trouble and should never be ignored. It says that you're using the wrong .top file and .gro file together. Apparently, in one you have the cl- ions and in the other you haven't. As a consequence of the resulting shift the whole connectivit

[gmx-users] LINCS warning in Position Restraint

Hi all, I am trying to position restraint on 1OMB.pdb using gromacs 3.2 I have included 2 CL- ion. My *.top is after editing: [ molecules ] ; Compound#mols Protein 1 SOL 1768 CL- 2 Am doing