Brandon,
Yes. The information you want can be found here:
http://ambermd.org/formats.html#restart
Regards,
Brian
On Thu, Jun 21, 2012 at 8:31 AM, Brandon Sim <simpavid.gmail.com> wrote:
> Dear all,
>
> I am attempting to use sander for minimization of structures, but the
> following error occurs:
>
> getting new box info from bottom of inpcrd
> | INFO: Old style inpcrd file read
> | peek_ewald_inpcrd: Box info not found in inpcrd
>
> I am wondering if there is a way to manually add this information to the
> end of the inpcrd file if I know the dimensions of my solvent box. I ask if
> there is a manual solution because I did not use leap to add solvent;
> instead, I used the MMTSB toolset.
>
> Thanks,
> Brandon
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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 : Center for Integrative
Proteomics Room 308
Graduate Program in Chemical Physics : 174 Frelinghuysen 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 Thu Jun 21 2012 - 06:30:02 PDT
