I would think the input file to sander or pmemd. What other inputs do you
have?
On Wed, Nov 2, 2011 at 12:32 PM, Charles Johnson <cjohns98.slu.edu> wrote:
> Brian
>
> What input file would you like?
>
> Sent from my iPhone
>
> On Nov 2, 2011, at 11:24 AM, Brian Radak <radak004.umn.edu> wrote:
>
> > Charlie,
> >
> > You're going to have to be a bit more specific. Can you post an input
> > file? rk2 sounds like part of the NMR/restraint module but doesn't get
> us
> > very far beyond that...
> >
> > Regards,
> > Brian
> >
> > On Wed, Nov 2, 2011 at 11:53 AM, Charles Johnson <cjohns98.slu.edu>
> wrote:
> >
> >> I am currently trying to run simulated annealing in vacuum and am
> running
> >> into the following error:
> >>
> >> At line 976 of file _nmrcal.f
> >> Fortran runtime error: Bad data for namelist object rk2
> >>
> >> Any help would be greatly appreciated.
> >>
> >> Thanks,
> >> Charlie
> >>
> >> --
> >> Charles A. Johnson
> >> Graduate Student
> >> Department of Chemistry
> >> Saint Louis University
> >>
> >>
> >>
> >>
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> >
> >
> >
> > --
> > ================================ Current Address =======================
> > Brian Radak : BioMaPS
> > Institute for Quantitative Biology
> > PhD candidate - York Research Group : Rutgers, The State
> > University of New Jersey
> > University of Minnesota - Twin Cities : Wright-Rieman Hall
> 101
> > Graduate Program in Chemical Physics : 610 Taylor Road,
> > Department of Chemistry : Piscataway, NJ
> > 08854-8066
> > radak004.umn.edu :
> > radakb.biomaps.rutgers.edu
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--
================================ Current Address =======================
Brian Radak : BioMaPS
Institute for Quantitative Biology
PhD candidate - York Research Group : Rutgers, The State
University of New Jersey
University of Minnesota - Twin Cities : Wright-Rieman Hall 101
Graduate Program in Chemical Physics : 610 Taylor Road,
Department of Chemistry : Piscataway, NJ
08854-8066
radak004.umn.edu :
radakb.biomaps.rutgers.edu
====================================================================
Sorry for the multiple e-mail addresses, just use the institute appropriate
address.
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Received on Wed Nov 02 2011 - 10:30:03 PDT
