Instead of "slightly", I meant "slowly".
On Fri, Jul 10, 2020 at 9:37 PM David Sáez <davidsaez.udec.cl> wrote:
> Dear Amber community, is there a way to slightly turn off positional
> restraints (ntr=1, restraint_wt) on a molecule?
>
> I though a line like
>
> &wt type='REST', istep1=0, istep2=100, value1=1.0, value2=0, &end
>
> could work, but as &wt is related to nmropt=1 I am not sure if it would
> also affect the keyword ntr=1.
>
> Thanks in advance,
>
> David.,
>
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 10 2020 - 19:00:04 PDT
