From: Chang, Christopher (
Date: Wed Sep 14 2005 - 14:27:47 CDT


   As I understand it, the header of the DCD file is referred to as the
"ICNTRL array" in the CHARMM documentation. There is a description of it
(for CHARMM 25; I imagine the form for other versions is in the
analogous location in the documentation trees) at
Search on "ICNTRL". I believe NAMD writes out/reads in CHARMM24 format.


Christopher H. Chang, Ph.D.
Research Associate
National Renewable Energy Laboratory
1617 Cole Blvd., Mail Stop 1608
Golden, CO 80401
Phone (303) 275-3751
Fax (303) 275-4007

> -----Original Message-----
> From:
> [] On Behalf Of Tatyana Kuznetsova
> Sent: Wednesday, September 14, 2005 8:09 AM
> To:
> Subject: vmd-l: DCD file format
> Dear vmd-l,
> We use our home-grown Fortran package to do molecular
> dynamics and VMD to visualize the results. I would like to
> add the MD cell size information to the dcd files, but can't
> find any sites that outline the new dcd format. Can anybody
> point out *any* site describing the dcd format fields.
> Thanks in advance.
> Dr. Tatyana Kuznetsova
> Institute of Physics and Technology
> University of Bergen
> Bergen
> Norway