Installing and setting up the MMTSB toolset

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The latest version (Sep 2011) of MMTSB [1] is installed in /home/ss2029/SWins/mmtsb_toolset on CLUST. To use it set the following variables in your .bashrc:

export MMTSBDIR=/home/ss2029/SWins/mmtsb_toolset
export PATH=$PATH:$MMTSBDIR/perl:$MMTSBDIR/bin
export CHARMMEXEC=/home/ss2029/svn/CHARMM35/exec/gnu/charmm
export CHARMMDATA=/home/ss2029/svn/CHARMM35/toppar
export AMBERHOME=/home/csw34/amber11
export REMOTESHELL=rsh

I had built mmtsb_toolset on my workstation and then just copied it to clust! I was not able to build the toolset directly on CLUST due to outdated GNU C compilers.

--Ss2029 15:21, 7 September 2011 (UTC)