Hi,
I've been working a time ago with Pull code in Gromacs 3.3.1, calculating the
components of the applied force from pull.pdo file.
Now, using 4.0.5 version and re-starting with COM Pulling, as well as the
great optimization, I've found that the outputs show something like the
modulus
of the applied force (with sign).
Is there any option to take a file with the components or simply I have to
calculate them from the components of the spring elongation like before?
I've searched the manual and mailing list and found nothing about this.
Thanks in advance. Ariel
________________________________
H. Ariel Alvarez
IFLYSIB - UNLP, CONICET.
Calle 59 N° 789 E/ 10 y 11
CC 565 B1900 La Plata, Argentina.
Tel: +54-221-423-3283 int.: 21
+54-221-425-4904
Fax: +54-221-425-7317
e-mail: aar...@iflysib.unlp.edu.ar
Página Personal
________________________________
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
