[gmx-users] pH calculation

kamil at ibmb.uni.wroc.pl kamil at ibmb.uni.wroc.pl
Sat Mar 20 19:06:01 CET 2004

Hello again...

Few weeks ago I posted a mail with information that I would build a
subprogramme for Gromacs that would be able to calculate pI of peptide and
also allow to include protonation in periodic system. I must admit I've
got some problems with computer implementation of my methods.

Due to great lack of help from my companions from physics I have to test
and implement theories by my self. It's really hard to do alone.

Suming up , I really do need help and support ...

Kamil Tamiola - Biotechnology POLAND

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