Re: [gmx-users] distance restraints fails

2012-04-12 Thread Mark Abraham
On 13/04/2012 3:08 AM, Qinghua Liao wrote: Dear gmx users, I tried to apply distance restraints to my system, but I found that it failed because the distance between the restraints atoms in the last frame is bigger than what we want. Distance restraints aren't magic. There has to be an acces

[gmx-users] distance restraints fails

2012-04-12 Thread Qinghua Liao
Dear gmx users, I tried to apply distance restraints to my system, but I found that it failed because the distance between the restraints atoms in the last frame is bigger than what we want. Here are the parameters for distance restraints in the topology file: [ distance_restraints ] ; ai aj ty