Re: Charmm to Namd!!

From: Philip Peartree (P.Peartree_at_postgrad.manchester.ac.uk)
Date: Wed Sep 19 2007 - 07:51:59 CDT

As far as I know it should be the DCD files are in the same format. The psf
might need changing (if you need it). For that all you need to do it make
charmm export it in XPLOR format. Follow normal writing procedures
(i.e. open a
unit etc) and use the command: write psf card xplor followed by the unit name.
Should be ok then.

Philip Peartree

Quoting priyanka srivastava <priyankaps4_at_yahoo.com>:

> Dear Namd users,
>
> This is my first post in this forum and I am very new
> to NAMD.
> I have seen some studies wherein NAMD has been used to
> calculate the pressure profiles of bilayer systems.
> I carried out bilayer simulation using Charmm and wish
> to use the analysis tools (specifically that of
> pressure profile calculation) from NAMD using the
> trajectories generated from Charmm.
>
> Is it possible to use charmm generated trajectory
> files in NAMD for analysis purposes?
>
> Regards,
> Pri...
>
>
>
>
> ____________________________________________________________________________________
> Tonight's top picks. What will you watch tonight? Preview the hottest
> shows on Yahoo! TV.
> http://tv.yahoo.com/
>
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:20:36 CST