On Tue, Feb 16, 2016, ankita mehta wrote:
> I have tried to make 7col.dist file to use it further to apply the
> restraints...
The makeDIST_RST program is designed to convert "real" NMR restraints (in
so-called Diana format) to the sander/pmemd restraint format.
If you are just making up your own restraints, you should skip makeDIST_RST
and just construct the $rst namelists by hand.
However, it looks like you just have zinc ions coordinated to cysteine
residues. There are lots of better ways to handle this sort of situation.
See tutorial A20 for an overview of how to handle metal ion sites.
....dac
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Received on Tue Feb 16 2016 - 05:00:05 PST
