Hi,
Iwant to use this script as given in the amber tutorial.
#!/bin/sh#PBS -N rasraf_parallel#PBS -o parallel.out#PBS -e parallel.err#PBS -m abe#PBS -M email.address.com#PBS -q brute#PBS -l nodes=1:node:ppn=4#PBS -l pmem=900mbcd $PBS_O_WORKDIRmpirun -np 4 MMPBSA.py.MPI -O -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat -sp ras-raf_solvated.prmtop \ -cp ras-raf.prmtop -rp ras.prmtop -lp raf.prmtop -y bigprod.mdcrd > progress.log 2>&1
I have 20 different x.mdcrd file. But I do not know how to chnge -y bigprod.mdcrd so all the 20 files can read. I used -y *.mdcrd. but it odes not work.
I therefore request you to help me regarding this issue.
Thank you.
Sincerely,
Delwar Hossain
NDSU, Fargo
ND 50108
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 15 2012 - 16:30:03 PDT
