CCL:G: running Gaussrate on VRC polyrate
- From: Marc Segovia <marc_._fq.edu.uy>
- Subject: CCL:G: running Gaussrate on VRC polyrate
- Date: Thu, 16 Feb 2012 20:37:43 -0200
Sent to CCL by: Marc Segovia [marc/a\fq.edu.uy]
Hi
I install polyrate on my PC, VRC variant (barrierless reactions), run
ch3 tutorial , put when I try to move to gaussrate (where cannot found
a
sample) , I have problems, with connection between gaussrate and
gaussian, even that shuttle was properly modified, and esp.fu7* files
runs perfect on gaussian.
The following message appear
Error opening the file esp.fu71 which is linked to FORTRAN unit 71
Error opening the file esp.fu72 which is linked to FORTRAN unit 72
Error opening the file esp.fu73 which is linked to FORTRAN unit 73
Could someone give me a hint or a sample.
Thanking in advances
Best Regards
Marc
Dr. Marc Segovia
CCBG-DETEMA
Facultad de Quimica
Universidad de la Republica
11700 Montevideo
Uruguay