VMD-L Mailing List

From: Gregorio Fernandez (gregorio_at_umh.es)
Date: Fri Apr 06 2012 - 02:42:22 CDT

Hi,
I am a very new user of VMD/MDFF. I tried to reproduce the simple
example in the mdff tutorial by using the windows version (vmd 1.9.1cuda
and namd2.9b2 under windows vista and also windows 7).
I found two problems:
1) location of the output files. Some files can be redirected to a
desired directory, but others cannot (i.e. mdff_template.namd). Where is
stored that information? is a symbolic link? How can I get that
information in a file in my directory of work?
2) When running namd2 (%namd2 adk-step1.namd > adk-step1.log)(pag 13 of
the tutorial) I got the following error: "Charm++ fatal error:
FATAL ERROR: Grid force potential file incorrectly formatted". I
followed the tutorial step by step. I am attaching the log file.

Can I have some help? Sorry if these questions are too basic.

Gregorio 

-- 
Gregorio J. Fernandez Ballester
Instituto de Biología Molecular y Celular
Universidad Miguel Hernández
Edificio Torregaitán.
Avda. de la Universidad, s/n. 03202
Elche (Alicante)
E-mail: gregorio_at_umh.es
Telf: 966 65 84 41
Fax:  966 65 87 58