[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:
1611
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*
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