ok thanks! It works fine!
James
2015-03-31 18:01 GMT+02:00 David A Case <case.biomaps.rutgers.edu>:
> On Tue, Mar 31, 2015, James Starlight wrote:
>> yes
>> and what those options from the mdin.in file are do?
>> &wt
>> type='DISAVI' istep1=1, istep2=10, value1=0, value2=0.0,
>> &end
>>
>> here exactly difference between amber 12 and amber 14: because in the
>> latter &wt is placed within new disang.rst file in comparison to
>> amber-12 (which I'm using!)
>
> Sorry: I might have been confusing before. The &wt namelists go into the
> mdin file, where as the &rst namelist go into the DISANG file.
>
> See the examples in $AMBERHOME/test/nmr.
>
> ...dac
>
>
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Received on Thu Apr 02 2015 - 06:00:02 PDT
