From: Bogdan Costescu (bogdan.costescu_at_IWR.Uni-Heidelberg.De)
Date: Thu Jul 15 2004 - 12:41:16 CDT

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