RE: [gmx-users] constraints hbonds with 4.6

nd(pr,j++,i); } } pr->nr = j; > Date: Mon, 21 May 2012 11:13:46 +0200 > From: sebastian.wa...@physik.uni-freiburg.de > To: gmx-users@gromacs.org > Subject: [gmx-users] constraints hbonds with 4.6 > > Hi all together, > > I am testing the 4.6 dev

[gmx-users] constraints hbonds with 4.6

Hi all together, I am testing the 4.6 dev version of gromacs with heterogeneous acceleration (force field: amber99-ildn) on a 95 residue protein (all atom model) in SPCE and run into major troubles using in the .mdp file option constraints = hbonds with the default lincs parameters. The system is