[gmx-users] unknown residue (BGC)
Justin A. Lemkul
jalemkul at vt.edu
Wed Jun 13 14:33:32 CEST 2012
On 6/13/12 8:20 AM, delara aghaie wrote:
> Dear Justin
> If we do not get error when using command pdb2gmx, and so having the .top and
> .gro files, Can we make sure that every thing is ok with our pdb file or maybe
> there exists some other checks to be done on pdb?
If pdb2gmx produces no error, then the contents of the initial coordinate file
matched the expectations of the force field and thus the topology and resulting
structure are fine.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users