VMD-L Mailing List
From: Chris Harrison (charris5_at_gmail.com)
Date: Thu Aug 30 2012 - 08:21:55 CDT
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Dear Candy,
Sorry, but the PLUMED plugin isn't actually supported by us, but
instead by the plumed developers.
You could instead use the colvars and metadynamics features that are
already natively available within namd to accomplish your calculation,
or you could attempt contacting the plumed developers regarding their
patch.
On Thu, Aug 30, 2012 at 7:23 AM, candy deck <candy76_at_hotmail.co.uk> wrote:
> Dear NAMD user.
> I'm trying to install NAMD 2.8 and patching PLUMED1.3
> Here is what I've done :
>
> tar xzf NAMD_2.8_Source.tar.gz
> cd NAMD_2.8_Source
> tar xf charm-6.3.2.tar
> cd charm-6.3.2
>
> Build and test the Charm++/Converse library (network version):
> ./build charm++ net-linux-x86_64 --no-build-shared --with-production
> cd net-linux-x86_64/tests/charm++/megatest
> make pgm
> ./charmrun ++local +p4 ./pgm (also try running on multiple nodes)
> cd ../../../../..
>
>
> Download and install TCL and FFTW libraries:
> wget
> http://www.ks.uiuc.edu/Research/namd/libraries/fftw-linux-x86_64.tar.gz
> tar xzf fftw-linux-x86_64.tar.gz
> mv linux-x86_64 fftw
> wget
> http://www.ks.uiuc.edu/Research/namd/libraries/old_2010/tcl-linux-x86_64.tar.gz
> tar xzf tcl-linux-x86_64.tar.gz
> mv linux-x86_64 tcl
>
>
> Set up build directory and compile:
> network version: ./config Linux-x86_64-g++ --charm-arch net-linux-x86_64
>
> apply the patch: ./plumedpatch_namd_2.8.sh -patch
>
> cd Linux-x86_64-g++
> make
>
> And here, things like :
> src/ComputeMgr.C:83:21: fatal error: metadyn.h: No such file or directory
> compilation terminated
> are showing up...
>
>
> However, metadyn.h exists...
> if I do ls -l , I obtain :
>
> lrwxrwxrwx 1 candy candy 36 2012-08-30 13:55 metadyn.h ->
> ../plumed-1.3/common_files/metadyn.h
>
>
> Can someone help ??
> Thanks a lot
> Candy
>
>
-- Chris Harrison, Ph.D. NIH Center for Macromolecular Modeling and Bioinformatics Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 http://www.ks.uiuc.edu/Research/namd Voice: 773-570-6078 http://www.ks.uiuc.edu/~char Fax: 217-244-6078
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