Re: [gmx-users] Error in pr

Dhananjay, Consider searching the list archive... All possible solutions are in there. Cheers, Tsjerk On 7/27/07, Dhananjay [EMAIL PROTECTED] wrote: Hello all, I am getting error in pr dynamics when I run mdrun for a protein consist of two chains with 326 residues each. The error is as

Re: [gmx-users] Error in pr

hi, did u specify an index file in your command line for the 2 groups (protein and SOl? Dhananjay, Consider searching the list archive... All possible solutions are in there. Cheers, Tsjerk On 7/27/07, Dhananjay [EMAIL PROTECTED] wrote: Hello all, I am getting error in pr

[gmx-users] Error in pr

Hello all, I am getting error in pr dynamics when I run mdrun for a protein consist of two chains with 326 residues each. The error is as follows: Program grompp, VERSION 3.3 Source code file: readir.c, line: 1131 Fatal error: Not enough ref_t and tau_t values!

Re: [gmx-users] Error in pr

[EMAIL PROTECTED] wrote: hi, did u specify an index file in your command line for the 2 groups (protein and SOl? If you don't specify an index file, GROMACS will define such groups by default. I'm guessing the problem is arising because there's something else in the system that you need to