[gmx-users] mdp file to calculate local pressure

anirban polley polley.anirban at gmail.com
Sat May 23 11:22:30 CEST 2009

Dear Sir,
             I am looking for local pressure where I am using
I have download it from
The error which it gives during running to make tpr file, is given below
Program grompp_mpi, VERSION 4.0.2_localpressure
Source code file: gmx_fatal.c, line: 481

Fatal error:
Too many warnings (1), /home/anirban/gromacs402localpressure/bin/grompp_mpi
If you are sure all warnings are harmless, use the -maxwarn option.
The warning which it gives during running to make tpr file, is given below

WARNING 1 [file popc-sm-chol-assymmetric-bilayer.top, line unknown]:
 The largest charge group contains 11 atoms.
Since atoms only see each other when the centers of geometry of the charge
groups they belong to are within the cut-off distance, too large charge
 groups can lead to serious cut-off artifacts.
 For efficiency and accuracy, charge group should consist of a few atoms.
 For all-atom force fields use: CH3, CH2, CH, NH2, NH, OH, CO2, CO, etc.

Sir, now, could you please tell me where I have done mistake? In the README
file, it is written that it will give localpressure.dat file automatically.
But I could not do it.
Thank you very much for you kind help,
Anirban Polley
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