[gmx-users] bug in function read_next_vmd_frame

BIN ZHANG zhngbn at gmail.com
Sun Sep 19 21:05:45 CEST 2010


Hi, there:

It seems to me that there was a bug at line 214 of function  
read_next_vmd_frame() in file ./src/gmxlib/vmdio.c.
vec[0] = .1*ts.A; vec[1] = .1*ts.B; vec[2] = .1*ts.B; should be  
changed to :
vec[0] = .1*ts.A; vec[1] = .1*ts.B; vec[2] = .1*ts.C;

This is identified in gromacs4.5.1 version.

Thanks,
Bin





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