[gmx-users] conversion of gromacs files to amber files

[leila karami]

Dear Oliver

very thanks for your help.

Justin's perl script is good for direct hydrogen bonds, while I want to
study water
mediated hydrogen bonds and residence time and occupation of them.

Are youe sure g_hbond give you residence time of hydrogen bonds?

before you said you used a script to change the pdb file for compatibility
with amber.

please share me that.

-- 

Leila Karami
Ph.D. student of Physical Chemistry
K.N. Toosi University of Technology
Theoretical Physical Chemistry Group
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