[gmx-users] Re: Issue with GROMACS file format

SatyaK mail2mvskumar at yahoo.com
Mon Jul 23 18:53:03 CEST 2012

Thanks for the reply. In fact, I had followed the fixed format of Gromacs
during the conversion. Below is the sample data, where I have just the

 2171OHX     OW 5231  -0.543  -2.5801000.000
 2171OHX    HW1 5232  -0.510  -2.5471000.110

Z coordinate is 1000.000 and 1000.110 respectively in the above two lines.
However, in VMD the Z coordinate is read as 000 and and 000.110 which is
then multiplied by a factor of 10 to convert them to A. In VMD, the Z
coordinate is read as 000*10 = 0 and 000.110*10 = 1.10. (Here the decimal
places do not seem to be aligned, but they are aligned in the gro file that
I created).  

 With Regards,

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