[gmx-users] Hbond-ETH-WATER

Praveen Kumar Sappidi ch11d033 at smail.iitm.ac.in
Tue Sep 18 14:08:41 CEST 2012

Hi all
 Am Simulating Ethanol-water system using Gromacs4.0.7
 the problem is am not able to calculate number of hydrogen bonds in ethanol
and water-ethanol.
 i can see a small peak at 0.24 of Ethanol-water RDFs and visually also i can
see hydrogen bonding is formed

  am using command g_hbond -f *.xtc -s *.tpr -n *.ndx -num .xvg

 please help if anyone knows the solution
Thanks & Regards
Praveenkumar Sappidi
Research Scholar
Molecular modelling and simulation lab
Chemical Engineering Department
IIT Madras-600036

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