Dear David,
I did the first option, but I got an error message. would you mind
checking my input file?
On Thu, Feb 1, 2018 at 8:17 PM, David A Case <david.case.rutgers.edu> wrote:
> On Thu, Feb 01, 2018, ARMIN HODAEI wrote:
>
> >
> > Yes, I want to keep some part of the system rigid. let's say, a group
> > of residues.
>
> Two options:
>
> 1. set ntr=1, and set the restraint_wt and restraintmask variables; this is
> the simplest if there is just one group that needs to be kept rigid.
>
> 2. use the "emap" options to define an (approximately) rigid group; this
> has the advantage of allowing you to more than one "rigid" group, where the
> groups move relative to each other. But it's more complicated to set up.
> (Still simpler than using NMR distance restraints.)
>
> ...good luck....dac
>
>
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--
Armin Hodaei
Department of Physics,
Faculty of Arts and Sciences
Koc University, Istanbul
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Received on Mon Feb 26 2018 - 02:30:02 PST
