From: ipsita basu (ibasu788_at_gmail.com)
Date: Thu Jan 21 2010 - 23:36:02 CST
Dear all,
I want to do minimization,heating,equilibration and simulation of
a lipid bilayer. My script is attached with it. But in the minimization
process,there is no problem. But then the job is aborted giving following
error:
WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000
WRITING COORDINATES TO DCD FILE AT STEP 5000
WRITING COORDINATES TO RESTART FILE AT STEP 5000
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 5000
FINISHED WRITING RESTART VELOCITIES
TCL: Setting parameter 350000 to steps
FATAL ERROR: Setting parameter 350000 from script failed!
What should I do? Is there any problem in the script? Please help.
Thanking you
Ipsita Basu
-- Ipsita Basu Research Fellow c/o : Dr. Chaitali Mukhopadhyay Rajabazar Science College 92 APC Road Kolkata - 700009
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