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Hi-- > I need your help about a problem I encountered trying to set up a big > water box under xplor : it was a 12657 TIP3 water box, and it seems to > be a too high number for xplor : I had the error message : > > %COPYST-ERR: ST2MAX too small. Check input file. > Offending string:"10000" > with length= 5 > Max allowed length of string= 4 > %COPYST-ERR: ST2MAX too small. Check input file. > Offending string:"10001" > with length= 5 > Max allowed length of string= 4 > %SEGMNT-ERR: attempt to enter duplicate residue WAT TIP3 > %COPYST-ERR: ST2MAX too small. Check input file. > Offending string:"10002" > > etc .... > This problem is due to the fact that residue numbers can only be 4 characters long (won't fit in the pdb otherwise). A workaround is to split the water box into multiple segments, with different names. e.g. segment name "WT1" molecule name=TIP3 number=9999 end end segment name "WT2" molecule name=TIP3 number=300 end end I think this should solve your problem. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQE+30EBPK2zrJwS/lYRApp4AJ4repzeJctNDNbOEGxDeMIfOjFcAACeLbrU 2uvWojJCFuAMN7TZAcKbkww= =+1yt -----END PGP SIGNATURE-----
