VMD-L Mailing List
From: Per Jr. Greisen (pgreisen_at_gmail.com)
Date: Mon Oct 15 2007 - 10:39:36 CDT
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Hi,
I would like to generate a parameter/topology file for the Cl2- molecule. I
have made a geometry optimization and a hessian calculation for the
molecule using gamess-us. I have tried to use the paratool within VMD but
whenever I try to load the hessian-logfile into VMD it crashes.
The paratool asks for a gaussian log file - is it not possible to use
gamess-log instead for that module?
Any help or advise appreciated. Thanks in advance
-- Best regards Per
- Next message: Corenflos, Steven Charles: "Problems Opening Large .dx File"
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- Reply: John Stone: "Re: Generating parameter file for Cl2-"
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