thank for the help...it worked out at the end....i have one more question how i read the vibrational frequancy from the out put file...can any one help..
regards
________________________________________
From: Rasha Alqus [rasha.alqus.manchester.ac.uk]
Sent: 20 February 2013 14:39
To: AMBER Mailing List
Subject: [AMBER] problem in nmode
Dear Amber USERS,
Am trying to calculate the vibration frequency for single macromolecule using the nmode function in Nab, but i get the following error when i submit a job script.
The input file that have the calling sequence is G17-vac-nmode.in.
the job script in parallel is in file G17nabPAR.job and the error in file G17nabPAR.job.e35922
and in series in file G17nabSER.jo and an error in file G17nabSER.jo.e35920
Can some one help be and tell me what is wrong?
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Received on Wed Feb 20 2013 - 09:30:03 PST
