Hi Albert,
> I am wondering what's the difference between sandar.MPI and
> sander.LES.MPI ?
the executables ending .LES. are specialized versions for running Locally
Enhanced Sampling (LES). If you don't know what LES is, and therefore don't
specifically want to run locally enhanced sampling calculations then you
don't ever need to use these executables. Just use the sander.MPI version.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Wed May 02 2012 - 06:00:04 PDT
