From: Jeff Comer (jeffcomer_at_gmail.com)
Date: Sun Dec 20 2015 - 12:06:17 CST
You can easily make a .coor file from the .dcd.
set all [atomselect top all]
$all writenamdbin blah.psf
Jeffrey Comer, PhD
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
On Sun, Dec 20, 2015 at 3:02 AM, Azadeh Alavi <azade.alavi_at_gmail.com> wrote:
> Dear Namd users,
> Unfortunately, I have forgotten to use the "restratsave" command in my
> configuration file and I want to restart from a few nanoseconds before my
> last timestep. My simulations are in NPT ensemble. I would be grateful if
> you could tell me how to get the restart files, especially the .xsc file,
> from the dcd file I have or any other way possible.
> Thank you very much.
> Best regards,
This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:21:41 CST