AMBER Archive (2001)

Subject: Re: Incomplete coord file after crash

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Jan 25 2001 - 14:47:26 CST

        the CRD file from the job that
        crashed is incomplete. As a result I cannot carry out certain CARNAL
        procedures, namely stripping waters from the files after merging the
        incomplete file with the new file from the restarted job.
        The output gives the following message:
        
        bmd_merged.crd: too many numbers on box line for mdcrd format -
             bad coord file or carnal bug
        
Before merging the files, try reading the damaged file in carnal &
writing it out unmodified - the last, damaged crdset will be ignored
and the new file should be ok for further operations.
        
Bill Ross