Re: CCL:trajectory file conversion

[Rick Venable <rvenable[ AT ]gandalf.cber.nih.gov>]

On Tue, 19 Mar 2002, Jim Phillips wrote:
 > Try FlipDCD.  http://www.ks.uiuc.edu/Development/MDTools/flipdcd/
 >
 > -Jim
 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.
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 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
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