Re: [gmx-users] COM restraint similar to distance restraints

2013-04-04 Thread Erik Marklund
were no replies, I assume it is > not possible to implement COM distance restraints in a way similar to > distance restrains. > > nahren > > > > From: nahren manuel > To: gromacs gromacs > Sent: Monday, April 1, 2013 9:56 PM > Subj

Re: [gmx-users] COM restraint similar to distance restraints

2013-04-04 Thread nahren manuel
Subject: [gmx-users] COM restraint similar to distance restraints Dear Gromacs Users, I was wondering if there is a way to implement the COM distance restraints (which I presently apply using pull, and setting pull-rate =0.0) in way similar to distance restraints defining the lower up1 up2 (i.e

[gmx-users] COM restraint similar to distance restraints

2013-04-01 Thread nahren manuel
Dear Gromacs Users, I was wondering if there is a way to implement the COM distance restraints (which I presently apply using pull, and setting pull-rate =0.0) in way similar to distance restraints defining the lower up1 up2 (i.e harmonic restraint with a flat well). Any suggestion will be appr