Yes. I did have
&wt type='DUMPFREQ', istep1=10 /
&wt type='END' /
Right after I posted the question, I figured that "jar = 1" option was
overriding the "nmropt=1" option because of which the output file had work
values rather than expected distances.
Now the question will be, can I write both (instantaneous distances and
work values) in separate files after having both nmropt=1 and jar=1?
-Jubilant
On Wed, Jan 16, 2019 at 9:17 AM David A Case <david.case.rutgers.edu> wrote:
> On Tue, Jan 15, 2019, Sundar wrote:
> >
> >How to print distance values for every requested time step while using
> >distance restraints?
> >I had the following in my md.in file, but nothing is printed in the
> >dist.txt file.
> >
> >DISANG=rst.dist
> >DUMPAVE=dist.txt
>
> Did you set the DUMPFREQ variable? Like this:
>
> &wt type='DUMPFREQ', istep1=10 /
> &wt type='END' /
>
> See the example in section 21.4 of the Reference Manual.
>
> ....dac
>
>
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>
--
Thanks,
Sundar Thangapandian
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Received on Wed Jan 16 2019 - 08:00:03 PST
