Dear Sir, I am looking for local pressure where I am using gromacs-4.0.2_localpressure.tar<ftp://ftp.gromacs.org/pub/tmp/gromacs-4.0.2_localpressure.tar.gz>package. I have download it from ftp://ftp.gromacs.org/pub/tmp 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 terminated. 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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