VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Dec 01 2010 - 20:35:52 CST

Hi Francesco,
Could you please let me know exactly what you do in your session prior
to running namdenergy? A tcl script that you're using would be ideal.
namdenergy relies on the information that vmd has stored about the
location of the parm file for your structure, but in some admittedly
limited testing on windows I wasn't able to get it to put forward
slashes in that path.
Thanks,
Peter

On 12/01/2010 07:23 AM, Francesco Oteri wrote:
> Dear vmd users,
> I'm tryng to use namdenergy on windows7 and I've found a bug in the
> generation of the temp namd configuration file.
> In particular, namd doesn't recognize the "/" character used to separate
> the folder.
>
> This is an example:
>
> parmfile
> C:/Users/Francesco/Documents/Laboratorio/ZnuA/ZNuA_ZNh2o.prmtop
>
>
>
> In this case the namd output is:
>
> Info: AMBER PARM FILE
> C:UsersFrancescoDocumentsLaboratorioZnuAZNuA_ZNh2o.prmtop
>
>
> If I change the "/" character with the "\", running namd by the
> console, it works.
>
> I think that a small modification in the code will solve the problem.
>
>
> Best regards, Francesco