From: Zhong Wenyu (wyzhong78_at_163.com)
Date: Wed Jun 02 2004 - 07:42:50 CDT
Hi.
I have constructed a system contains lipid and DNA and carbon nanotube.The parameters files I used are par_all27_prot_lipid.inp and par_all27_na.inp. I meet some problems in minmization.
TCL: Minimizing for 1200 steps
PRESSURE: 0 nan nan nan nan nan nan nan nan nan
GPRESSURE: 0 nan nan nan nan nan nan nan nan nan
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 0 126435.5317 -99999999.9999 16158.4504 246.0499 -690784.5080 99999999.9999 0.0000 0.0000 0.0000 -99999999.9999 0.0000 -99999999.9999 -99999999.9999 0.0000 -99999999.9999 -99999999.9999 2906800.0000 -99999999.9999 -99999999.9999
INITIAL STEP: 1e-06
GRADIENT TOLERANCE: nan
Then the computation hold on, neither stop nor continue work.
Anyone could help me?
Best regards.
Wenyu Zhong
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