VMD-L Mailing List
From: Bogdan Costescu (bogdan.costescu_at_IWR.Uni-Heidelberg.De)
Date: Thu Jul 15 2004 - 12:41:16 CDT
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On Thu, 15 Jul 2004, Jerry Xu wrote:
> it can not be accepted by CHARMM----the error message is "maximum
> atom number exceeded per group".
This error message does not exist in CHARMM (at least c28b1 and
c30b2). I grep-ed both on it and on shorter strings (to account for
split strings) and nothing came up. So please provide the exact error
message.
> If the protein is small (under 50-60 residues), it is still okay for
> CHARMM, but when protein is little larger, CHARMM always complain
> too many atoms per group.
Seems strange to me to count residues when the error message mentions
atoms...
-- Bogdan Costescu IWR - Interdisziplinaeres Zentrum fuer Wissenschaftliches Rechnen Universitaet Heidelberg, INF 368, D-69120 Heidelberg, GERMANY Telephone: +49 6221 54 8869, Telefax: +49 6221 54 8868 E-mail: Bogdan.Costescu_at_IWR.Uni-Heidelberg.De
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