final: Checkpoint of G94 and G98
- From: Dr Jose Luis Garcia de Paz <depaz-0at0-uam.es>
- Subject: final: Checkpoint of G94 and G98
- Date: Wed, 13 Jan 1999 17:57:05 +0100
Hi all,
Sorry for the delay in sending the answer to the problem
I asked. Thank you all and, specially, to Bill Laidig.
I can circunvent the problem using a simple line editor
and removing the lines Bill called "Oniom records".
The first line to be removed in the G98 formatted checkpoint
file is labeled "Atom types". The last line to be removed
is the previous one to the line labelled "Shell type".
Regards,
Jose
_____________
Dr. Jose Luis Garcia de Paz |_ /
Departamento de Quimica Fisica | |
Facultad de Ciencias, C-XIV-602 | 0 /
Universidad Autonoma de Madrid < | Telephon: +34-91-397.4957 or 4263
Ctra de Colmenar Km. 15 |_ ___/ Fax: +34-91-397.4512
E-28049 Madrid (SPAIN) \/ E-mail: <depaz-0at0-uam.ES>
alt E-mail:
<depaz-0at0-tendilla.qfa.uam.ES>
http://www.uam.es/qfa/depaz.html
http://www.adi.uam.es/~depaz