#!/bin/tcsh
#SBATCH -p compute
#SBATCH -J aa-21-R2
#SBATCH -o logtest.o%j
#SBATCH -N 18
#SBATCH --ntasks-per-node=24
#SBATCH -t 48:00:00

set CUR = 1
setenv AMBERHOME "/oasis/projects/nsf/slc216/droe/GIT/amber"
set path = ($AMBERHOME/bin $path)

perl foreach_noheat.pl $CUR
ibrun -n 432 -o 0 $AMBERHOME/bin/pmemd.MPI -ng 18 -groupfile group.$CUR

../../../../scripts/analysis-1_aa.tcsh $CUR aa-21-R2-AN