[gmx-users] RE: g_angle

Hi Zuzana, what version are you running? I had the same problem. After couple of sleepless nights found in archives that there was a bug in version 3.3.2:-) When I followed the advice given there This is a known bug, recently introduced, but fixed again in CVS. You can edit the source code

[gmx-users] g_msd freeze

Hi all, I had a problem that the g_msd tool froze atReading frame 0 time 0.000with no visible problems in input files or compilation.Thanks to your advices I was able to trace the mistake back to the box size in the structure file. Thank you. Best regards, Katka Hynstova __

[gmx-users] g msd freeze

>Kateřina Hynštová wrote: >> Dear users, >> >> >> >> I would like to calculate the mean square displacement. >> >> Using the >> >> >> >> g_msd -f traj.xtc -s input.tpr -n index.ndx -o msd.xvg >> >> &g

[gmx-users] g msd freeze

Dear users, I would like to calculate the mean square displacement. Using the g_msd -f traj.xtc -s input.tpr -n index.ndx -o msd.xvg I get Reading file input.tpr, VERSION 3.3.2(single precision) Reading file input.tpr, VERSION 3.3.2(single precision) Group 0( C) has