Re: [gmx-users] creating topology files

2006-10-11 Thread Mark Abraham
Anton Feenstra wrote: Mark Abraham wrote: --- Program grompp, VERSION 3.3.1 Source code file: toppush.c, line: 1180 Fatal error: Incorrect number of parameters - found 4, expected 6 or 12. -

Re: [gmx-users] creating topology files

2006-10-11 Thread Anton Feenstra
Mark Abraham wrote: --- Program grompp, VERSION 3.3.1 Source code file: toppush.c, line: 1180 Fatal error: Incorrect number of parameters - found 4, expected 6 or 12. --- This is being cause

Re: [gmx-users] creating topology files

2006-10-05 Thread Mark Abraham
Owen, Michael wrote: Fellow gmx users, I am trying to create a topology file for TFE using the olpsaa/l force field to simulate a peptide in a mixed solvent. I created a molecule.itp file (as it was suggested in the manual), a molecule.gro file for TFE and I was able to place the several TF

[gmx-users] creating topology files

2006-10-05 Thread Owen, Michael
Title: creating topology files Fellow gmx users, I am trying to create a topology file for TFE using the olpsaa/l force field to simulate a peptide in a mixed solvent.   I created a molecule.itp file (as it was suggested in the manual), a molecule.gro file for TFE and I was able to place the