AMBER: program bug?

From: M. Maeda <mmaeda.nias.affrc.go.jp>
Date: Mon, 09 Jul 2007 11:24:58 +0900

Dear Sir,

I am compiling AMBER 8 program on the Linux machine.
I treated all patches until last month when I compiled
the program. Now I can compile only serial mode (no parallel
compilation was succeeded yet).

Next, I tried to run the program using our query protein.
In the GB model condition, it seems to work well.
In the explicit water model condition, It seemed to be run,
but the resulted PDB files translated by ptraj were wrong.

It seems some water atoms were recognized as the atoms of
the protein. If the files are needed, I can send them to
the developers. However, their volume is very big, and I
don't attached on this e-mail.

Could you tell me some suggestion about that?

Sincerely,
Miki



_/_/_/ $B<.ITI,.8!!=yITI,;`(B _/_/_/
_/_/_/ M. MAEDA _/_/_/
_/_/_/ mmaeda.nias.affrc.go.jp _/_/_/



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Received on Wed Jul 11 2007 - 06:07:16 PDT
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