[gmx-users] pull code: constraint forces

Berk Hess gmx3 at hotmail.com
Mon Mar 22 13:33:01 CET 2004

>Hi, I'm trying to constraint the distance (with the pull code) between tw=
>o atoms that are part of the same molecule for which no bonds are const=
>rained. The problem is that the constraint force doesn't seem reliable.=

Which version are you using?
There was a bug in 3.2.0, that has been fixed in 3.2.1.

What makes you thing the constraint force is not relaible?

Are you sure you want to use a constraint rate of 1 nm/ps?
That is extremely high.


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