[gmx-users] pull code in 3.2

Berk Hess gmx3 at hotmail.com
Wed Feb 25 13:42:00 CET 2004

>I've done constraint runs in 3.1 to get forces on a constrained molecule,
>but I haven't been able to get them working in 3.2. This might just be
>because the file formats changed and aren't documented yet. Does anyone 
>have a working .ppa for a 3.2 constraint run that I could start with?

It probably does not work because of a bug in the code.
I just realized a fix I made somehow did not make it into the release.
It will be fixed in version 3.2.1 that should be released soon.

Also the documentation is ready, but not on the site yet.


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