[gmx-developers] g_dist, may be a bug

Dmitry Kovalsky dikov at imbg.org.ua
Mon Apr 1 11:33:04 CEST 2002

Hi All,

I'm using g_dist to calculate distance between two groups and have 
encountered a bug. While a real distance between two Ca atoms is near 5.5 nm
g_dist shows near 2.5 nm. I have tried different type of difenition of these 
Ca atoms in index file and tried g_mindist but with the same result.
when I've tried g_gsangle defining H(N), N and Ca atoms of each of these two  
residues as planes. In this case I got a good result.
I can sent .gro, .ndx and .xvg.
Or I'm doing something wrong?
Any suggestions are wellcomed
Ph.D. Student Dmitry Kovalsky
Institute of Molecular Biology & Genetics
150 Akad. Zabolotnogo Street,
Kiev-143, 03143

E-mail: dikov at imbg.org.ua
Fax:  +380 (44) 266-0759
Tel.: +380 (44) 266-5589

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