fixed the ordering on the end of file test
moved the actual routine into a seperate source from the main. This allows the routine to be used in other applications.
This commit was generated by cvs2svn to compensate for changes in r34, which included commits to RCS files with non-trunk default branches.
Counts the number of frames in a dump or xyz
cleaned up the output a little
fixed makeRandom to set up a correct simulation
fixed a bug in getA( double the_A[3][3] );
added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition
adding the routines to the proogram `
adding a program to make a lipid configuration with random dispersion of lipids.
fixed some bugs in the Makefile
removed xLate.cpp which was part of a seperate project
fixed a precision error in the calculation of the temperature. Also fixed the order that dump file are written.
removed a misc file
This commit was generated by cvs2svn to compensate for changes in r22, which included commits to RCS files with non-trunk default branches.
tools for analyzing BASS simulation dumps
This commit was generated by cvs2svn to compensate for changes in r20, which included commits to RCS files with non-trunk default branches.
runs a simulation from a BASS file
This commit was generated by cvs2svn to compensate for changes in r18, which included commits to RCS files with non-trunk default branches.
translates BASS dumps to xyz files
This commit was generated by cvs2svn to compensate for changes in r16, which included commits to RCS files with non-trunk default branches.
makes a square lipid configuration
This commit was generated by cvs2svn to compensate for changes in r14, which included commits to RCS files with non-trunk default branches.
makes a square lipid configuration
This commit was generated by cvs2svn to compensate for changes in r12, which included commits to RCS files with non-trunk default branches.
forcefield parameter files for libmdtools
This commit was generated by cvs2svn to compensate for changes in r10, which included commits to RCS files with non-trunk default branches.
everything you need to make libmdtools
nose hoover chains added
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Import Root
initial checkin
initial checkin
Standard project directories initialized by cvs2svn.