AMBER Archive (2002)

Subject: surface

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Thu Nov 07 2002 - 15:03:56 CST

Hi amber's,

Sorry to bother you with another question, I was just wondering if anyone
tried to use amber to calculate the internal surface of a pore. If yes,
any hints how to do this? Or maybe you know another program that can do
this. I tried to do a Connoly calculation but that considers rolling a
probe sphere over the whole surface of a pore (external and internal).

Thank you,
Ioana

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