Re: AMBER: mmpbsa INSTRNG error?

From: <>
Date: Sun, 09 Mar 2008 17:13:05 +0100

Dear Sergio,

> It never finds a "SALT" key, so istrng is always 0. By looking into
> the file, it seems like the key should be "ISTRNG"
> instead of "SALT". So, if I rewrite this, I get what I think is the
> desired input in the file. Is this correct? or is the
> orignal code correct?

Your suggestion is correct. The SALT key originated from the delphi
keyword, whereas the ISTRNG key came with the introduction of Amber's
pbsa. If you replace SALT with ISTRNG in,, and you should be fine.

Best regards


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Received on Wed Mar 12 2008 - 06:07:08 PDT
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