[gmx-users] Problems with FENE potential

2009-10-07 Thread Marisa Roman
taking into account the position on the other side of the box and not the real one. Therefore my system collapses. Any suggestion on this will be very appreciated. Marisa Roman Philadelphia, US PS: I could print out coordinates of the beads involved to see the problem: step 970, will finish at Wed

[gmx-users] Problems with pulling code

2009-03-10 Thread Marisa Roman
the pulling pull_init1 = 1.46 1.19 3.05 ;pulling from the N-terminal, positions respect to the reference group pull_nstxout = 1000 pull_nstfout = 1000 Any comments will be more than welcome Marisa Roman mb...@drexel.edu Physics Dept. Drexel University - Philadelphia - USA