On Mon, Jun 22, 2015, Arthur Roberts wrote:
>
> Is there a way to do simultaneous Cartesian position and distance
> restraints in amber? When I use the position restraints, the distance
> restraints don't seem to work. Am I missing something? My input files
> are below.
Can you say more about the phrase "distance restraints don't seem to work"?
What led you to this conclusion?
A good debugging strategy is to add the LISTIN=POUT file redirection command:
this will give detailed information about how Amber is interpreting each of
your distance restraints. Certainly try things without the DISAVE command as
well, to help isolate the problems.
....dac
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Received on Mon Jun 22 2015 - 11:00:02 PDT
