to me it looks like those are different atom selections, just something to
keep in mind (did you want all of residue 1?)
On Tue, Apr 21, 2020 at 2:56 PM Debarati DasGupta <
debarati_dasgupta.hotmail.com> wrote:
>
> Hi Prof Case
> That was not the issue, I corrected it , we do not need “:”
>
> This format worked
>
> ntr = 1, restraintmask = ':1-2,3-286.CA,C,N,287', restraint_WT = 20,
>
>
>
> ***********************************************************************************************************************************************************
> From: David A Case<mailto:david.case.rutgers.edu>
> Sent: 21 April 2020 14:55
> To: AMBER Mailing List<mailto:amber.ambermd.org>
> Subject: Re: [AMBER] Restraint on certain atoms during MD
>
> On Tue, Apr 21, 2020, Debarati DasGupta wrote:
> >
> >This is my restraintmask = ':1,:2-272.CA,C,N,:273,:274',
>
> Try removing the "," after "N".
>
> ...dac
>
>
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Received on Tue Apr 21 2020 - 12:00:02 PDT
