[gmx-users] Fwd: Umbrella sampling Tutorial Fatal Error

2015-02-27 Thread Nima Soltani
Excuse me that I forgot to attach the complete Error page: nima@nima-ThinkPad:~/Desktop/3$ gmx grompp -f md_pull.mdp -c npt.gro -p topol.top -n index.ndx -t npt.cpy -o pull.tpr GROMACS:gmx grompp, VERSION 5.0.2 GROMACS is written by: Emile Apol Rossen Apostolov Herman J.C. Berendsen

Re: [gmx-users] Fwd: Umbrella sampling Tutorial Fatal Error

2015-02-27 Thread Mohsen Ramezanpour
Hi, Did you check the parameters in .mdp file for pulling simulation?! I think you have to define this pulling group in .mdp file that you use in grompp. On Fri, Feb 27, 2015 at 7:16 PM, Nima Soltani nima@gmail.com wrote: Excuse me that I forgot to attach the complete Error page:

Re: [gmx-users] Fwd: Umbrella sampling Tutorial Fatal Error

2015-02-27 Thread Justin Lemkul
On 2/27/15 7:16 PM, Nima Soltani wrote: Excuse me that I forgot to attach the complete Error page: nima@nima-ThinkPad:~/Desktop/3$ gmx grompp -f md_pull.mdp -c npt.gro -p topol.top -n index.ndx -t npt.cpy -o pull.tpr GROMACS:gmx grompp, VERSION 5.0.2 GROMACS is written by: Emile Apol