[gmx-developers] simulation in methanol

[Ranjit Sudhakar Ranbhor]

Hi
        While I was trying to do simulation of a peptide in methanol
i am facing the following problem;
        With genbox, i could solvate the peptide with methanol, but it is
not getting registered in top file. Subsequently when i do energy
minimisation, with the solvated file, the output .gro file is found to be
getting solvated with water, instead of methanol. What could be the
problem, and How can it be rectified?
Ranjit

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Ranjit Sudhakar Ranbhor
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Research Scholar
Biotechnology Centre
Indian Institute of Technology-Bombay
Powai, Mumbai-400 076.
India.
Tel: (91)-(022)-25764780 (Internal: 4780)
Cell: 91-9820879770
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Web site:http//www.btc.iitb.ac.in/~ranjit
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