[gmx-users] Problem in generation of tpr file

Rahma Dahmani rahma.dahmani at fst.utm.tn
Mon Jun 11 10:48:56 CEST 2018

Hi gmx users,

I am performing Molecular Dynamic simulations of protein-ligand complex by
following steps shown in "GROMACS Tutorials.  While moving on to production MD,
i coudn't generate the tpr file, in fact i only activated velocity
generation parameter in my md.mdp file, and it shows this error:

Program grompp, VERSION 4.5.7
Source code file:
/home/rahma/Bureau/CODE/GROMACS/gromacs-4.5.7/src/kernel/grompp.c, line:
Fatal error:
Too many warnings (1), grompp terminated.
If you are sure all warnings are harmless, use the -maxwarn option.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

when velocity generation was off i didn't get this error.....

can anyone help me please

Thank you!


*Rahma Dahmani Doctorante en CHIMIE Unité de Recherche: Physico-Chimie des
Matériaux à l'état condensé, Laboratoire de Chimie Théorique et
Spectroscopie MoléculaireUniversité de Tunis El Manar, Faculté des Sciences
de Tunis Campus Universitaire Farhat Hached - BP n ° 94 - Rommana 1068,
Tunisie Tél: (+216) 28151042*

More information about the gromacs.org_gmx-users mailing list