AMBER Archive (2006)

Subject: AMBER: pqr from constant pH MD

From: harianto (
Date: Wed Sep 13 2006 - 16:43:13 CDT

Dear users,
I'm running constant pH GB simulations. Does anyone know how to generate
a pqr file (like the output of ambpdb -pqr -p topfile <crd ) to assign
the proper (protonation) charges from each crd snapshot?

Thanks for the help.

Harianto Tjong.

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