_______________________________________________________________________ README.UPDATES: This file describes the latest released modifications to the ptraj/rdparm programs e-mail me if you have problems: cheatham@chpc.utah.edu _______________________________________________________________________ 13 July 2001: -- added the "checkoverlap" command to ptraj. checkoverlap [mask] [min ] [max ] [noimage] This will look through the list of atoms to look for atoms that have distances less than the specified minimum value (0.95) or greater than the maximum value (if specified). You can turn off imaging with the noimage keyword -- minor fixes in printing and fixed some memory leaks 7 November 2000: -- fixed problem with "average" command and dumping of coordinates. When only a subset of the atoms were selected the wrong coordinates were being dumped unless the selection was sequential starting from the first atom. 31 October 2000: -- added a command to rdparm to "printdelphicharge", i.e. a file of charges for the current parmtop that is in the format required by the Delphi program to assign charges. -- fixed up the printing of hydrogen bond information; modified the h-bond command to not include "self" (within residue) h-bonds unless requested. -- removed references to and replaced with 7 September 2000: -- turned off the automatic imaging of distances if no box angles are specified -- fixed the handing of .gz and .Z files; allows the creation of compressed output trajectories on the fly (via the specification of .gz or .Z in the trajout filename) -- fixed the semantics of "go" -- fixed a bad memory problem when reading CHARMM trajectories -- fixed the image familiar command to work properly.