Re: Periodic cell has become too small for original patch grid

From: Hrant Gharabekyan (ghg_at_xalt.am)
Date: Thu Apr 14 2005 - 05:25:01 CDT

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You can enlarge margin, it can help too.
But when You start simulation system divided in patches, and patch size
used up to end of simulation.
When You restart simulation, system patch size recalculated for new
value of system size. After few restarts when Your system come to
stable size, that error will be disappeared.

Hrant
Bioinformatics group of
National Academy of Science of
Republic of Armenia

• Next message: Hrant Gharabekyan: "Re[2]: ERROR: Constraint failure in RATTLE algorithm for atom 127!"
• Previous message: Michel Espinoza-Fonseca: "RE: about protonation of HIS in membrane protein"
• In reply to: Xiaoqing Wang: "Periodic cell has become too small for original patch grid"
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