From: Ragothaman Yennamalli (ymr79in_at_yahoo.co.in)
Date: Wed May 18 2005 - 12:20:50 CDT
Hi all,
I am new to NAMD. I am learning SMD and when I tried
running SMD using the ubiquitin example, I got the
following error:
FATAL ERROR: Periodic cell has become too small for
original patch grid!
Possible solutions are to restart from a recent
checkpoint,
increase margin, or disable useFlexibleCell for liquid
simulation.
I searched the mailing list but they all are
suggesting to have a water sphere around the protein,
but the tutorial says without water sphere. The SMDDir
is the same as given in the tutorial.
Thanks in advance,
Regards
Ragothaman
**************************************
Y. M. Ragothaman,
Research Scholar,
Centre for Computational Biology and Bioinformatics,
School of Information Technology,
Jawaharlal Nehru University,
New Delhi - 110067.
Telephone: 91-11-26717568, 26717585
Facsimile: 91-11-26717586
**************************************
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