[gmx-users] Issue with the PDB generated after topology
kh.amine1 at gmail.com
Mon Jul 3 13:31:21 CEST 2017
Thank you, Mark.
I understand from your suggestion, that what I got from topology and
solvation phases is correct, and MD simulations even if it affects the
numbering of the structure but the simulation results remain unaffected and
I could renumber my residues at the end of simulation as it should be.
This the first time I'm facing this case as it's the first time I'm running
MD simulation of a protein complex.
Ph.D. Biology and Health
Biochemistry & Bioinformatics
More information about the gromacs.org_gmx-users