From: Bassam Haddad (bhaddad_at_pdx.edu)
Date: Wed Apr 26 2017 - 10:48:55 CDT
I am currently using NAMD 2.12 build (CUDA) with Plumed 2.3. I can use the
Plumed GUI to make certain calculations such as RMS, distance, etc.
Though I am under the impression that in order to take full advantage of
colvars, and free energy calculations, you need to re-compile namd with
Plumed. Since I have not done this, I cannot say if it's compatible with
Hope this helps!
--- Ph.D. Chemistry Portland State University B.S. Biochemistry Western Washington University On Wed, Apr 26, 2017 at 3:28 AM Vlad Cojocaru < vlad.cojocaru_at_mpi-muenster.mpg.de> wrote: > Dear all, > > Does anybody have experience in using PLUMED 2.3 with NAMD 2.12 ? On the > PLUMED website I only found patches for NAMD 2.8 and 2.9 and this is > quite old ... They also mention that many MD engines are PLUMED-enabled > by default and no extra compilation is needed ... Is NAMD 2.12 > PLUMED-enabled ? > > Thanks for any thoughts on this > > Best wishes > Vlad > > -- > Vlad Cojocaru, Ph.D., Project Group Leader > Department of Cell and Developmental Biology > Max Planck Institute for Molecular Biomedicine > Röntgenstrasse 20, 48149 Münster, Germany > Tel: +49-251-70365-324; Fax: +49-251-70365-399 > Email: vlad.cojocaru[at]mpi-muenster.mpg.de > http://www.mpi-muenster.mpg.de/43241/cojocaru > >
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