Re: CCL:trajectory file conversion
On Tue, 19 Mar 2002, Jim Phillips wrote:
> Try FlipDCD. http://www.ks.uiuc.edu/Development/MDTools/flipdcd/
I found this to be a problem for CHARMM (vs. CHARMm); flipdcd seemed to
be written for REAL*4 trajectories such as the commercial CHARMm
creates, while the academic CHARMM switched to REAL*8 several years ago.
I never got flipdcd to work on CHARMM REAL*8 trajectories.
Rick Venable 29/500
FDA/CBER/OVRR Biophysics Lab
1401 Rockville Pike HFM-419
Rockville, MD 20852-1448 U.S.A.
(301) 496-1905 Rick_Venable[ AT ]nih.gov
ALT email: rvenable[ AT ]speakeasy.org