On Tue, Aug 01, 2006, Tanya Johannsen wrote:
>
> I have a very long, complicated list of residues that
> I would like to restrain using ntr=1 during
> minimization. There is no way that I can define this
> list of residues in 80 characters or less,
You can do two things:
1. Use the "old style" restraints, i.e. using the group syntax, without the
restraintmask.
2. Apply the attached patch (only lightly tested) to
$AMBERHOME/src/sander/findmask.f, and re-compile. This ups the size of the
string to 256 character.
...good luck....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Aug 02 2006 - 06:07:14 PDT
