I have seen the file $rst given at
http://ambermd.org/tutorials/advanced/tutorial4/files/rst.dist
Please guide me for the variables iat , ir6...
Rest about all variables is mentioned.. But for these two variables i could
not see any description..
if i have to manuualy make $rst file i need to specify these two..
thnks!
On Tue, Feb 16, 2016 at 6:24 PM, David A Case <david.case.rutgers.edu>
wrote:
> 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 - 21:30:05 PST
