[gmx-developers] tpxio.c

[H.J.Risselada]

 gmx-developers at gromacs.org
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Date: Wed, 08 Mar 2006 12:33:52 +0100
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In tpxio.c the folowing expression is not waterproof:

do_int(ir->nstcomm);
     if (file_version > 34)
       do_int(ir->comm_mode);
     else if (ir->nstcomm < 0) {
       ir->comm_mode = ecmANGULAR;
       ir->nstcomm = -ir->nstcomm;
     }
     else
       ir->comm_mode = ecmLINEAR;


For cheating combinations in versions < 34 like:

=angular
= -1

nstcomm will not necessarily become absolute.

greetings

Jelger