[gmx-users] is there any bug in 4.0.5

Nilesh Dhumal ndhumal at andrew.cmu.edu
Sat Oct 24 23:42:39 CEST 2009


I am trying to run a simulation of glucose in water using Gromacs
4.0.5 version. During equilibration gulcose was at the centre of the box
surrounded by water molecules. In the final results the gulcose come to
the one side of the box (behaviour like hydrophobic). I ploted rdf in pure
water and glcose + water which is same.
Is there any bug in gromacs or I made some mistake or my results are correct.

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