[gmx-users] NME not found in rtp
francesca.vitalini11 at gmail.com
Fri Feb 17 12:27:17 CET 2012
I encounter this error while running pdb2gmx on GROMACS3.3.1 with
ffG53a6m il forcefield modificato per la reverse transformation.
Residue 'NME' not found in residue topology database
I know I should add it to the .rtp file, but I don't know exactly how
to do that, any help?
Otherwise, I'm actually just looking for a toy system with which just
play around as I'm having issues with the reverse transformation. Any
suggestion for a pdb? thanks!
PhD student at Computational Molecular Biology Group,
Department of Mathematics and Informatics, FU-Berlin
Arnimallee 6 14195 Berlin
vitalini at zedat.fu-berlin.de
francesca.vitalini at fu-berlin.de
More information about the gromacs.org_gmx-users