VMD-L Mailing List

From: Jianhui Tian (jianhuitian_at_gmail.com)
Date: Mon Mar 26 2007 - 15:43:20 CDT

hi all,

I am writing a short script to calculate the End-to-End distance for a
protein molecule. I have two dcd files to analysis together. But I
find that I have difficulty to add the second dcd trajectory file. The
beginning of the script is like following:

##########################
set dcdFile1 n_aka3rm14w6_run10.dcd ;# name of your psf file
set dcdFile2 n_aka3rm14w6_run11.dcd

set parm aka3rm14w6.prmtop ;# name of parm file

set incrm 1
##########################
mol load parm7 $parm dcd $dcdFile1
mol addfile $dcdFile2

set num_steps [molinfo top get numframes]
.
.
.

The "mol addfile $dcdFile2" command only added the first three frames
to the top molecule. How to solve the problem? Thanks a lot in
advance.

Jianhui