[gmx-users] change edr file to a new origen time

2006-10-15 Thread hseara
Dear users, I have a dinamic that I have continued from a previous one. The problem is that I have runned in different gromacs versions, and now the results seems to be different. There's any way to set up the edr file to time 0, even now the time is another?. In order to do the same with the tr

[gmx-users] Fatal error: Can't determine precision of trn file, quit!

2006-10-15 Thread Prettina Anto_Louis
Hello gromacs users,       I ecountered the following error while performing the analysis of the MD run using the tpr and trr files.   Select a group: 1Selected 1: 'Protein'trn version: GMX_trn_file (single precision)Reading frame 830 time  830.000   Fatal error: Can not determi

[gmx-users] Your computational box has shrunk too much!

2006-10-15 Thread liu xin
Hello GMX-usersWhen I wanted to analysis the hbond interaction between the protein and the dppc headgroup, I got the following error:Program g_hbond, VERSION 3.3.1Source code file: gmx_hbond.c, line: 631 Fatal error:Your computational box has shrunk too much.g_hbond can not handle this situation, s

[gmx-users] Fatal error: Can't determine precision of trn file, quit!

2006-10-15 Thread Prettina Anto_Louis
Hello gromacs users,       I ecountered the following error while performing the analysis of the MD run using the tpr and trr files.   Select a group: 1Selected 1: 'Protein'trn version: GMX_trn_file (single precision)Reading frame 830 time  830.000   Fatal error: Can not deter