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Hello Yves-- > > I want to built a bigger water box. The version 2.22 does not accept > more than 9999 residues as resid number. This limit is imposed by the pdb standard. It might be possible to allow larger numbers, but there would be no standard file format. > ATOM 13249 OH2 SPC 13249 0.138 4.834 76.093 1.00 0.00 SOLV > ATOM 13250 OH2 SPC 13250 29.559 11.822 5.853 1.00 0.00 SOLV > ATOM 13251 OH2 SPC 13251 4.665 5.042 42.662 1.00 0.00 SOLV The standard workaround is to add additional water molecules in separate segments- named e.g. SOL1, SOL2, etc. I hope this helps. Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkn4XogACgkQPK2zrJwS/lZ6/ACfRtFEhDJ8AdX1gNjVt5YlrrRM EJ4An1RQTt19A52Qcv/9YkSqvVryDgpk =Ghll -----END PGP SIGNATURE-----
