AMBER Archive (2009)
Subject: Re: [AMBER] extract frames from a .mdcrd

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Feb 06 2009 - 13:13:27 CST

Previous message: xiaoqin huang: "RE: [AMBER] distance calculation by reading in the restraint file"
Maybe in reply to: vallespardojl_at_chem.leidenuniv.nl: "[AMBER] extract frames from a .mdcrd"
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> there are something wrong (appears a hole in the solvatation cubic box).

Did you equilibrate with constant pressure to eliminate vdw voids
resulting from placement of waters?

Bill

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Previous message: xiaoqin huang: "RE: [AMBER] distance calculation by reading in the restraint file"
Maybe in reply to: vallespardojl_at_chem.leidenuniv.nl: "[AMBER] extract frames from a .mdcrd"
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