AMBER Archive (2009)

Subject: Re: [AMBER] number-of-EPS-exceeds-MAXESP

• Previous message: drugdesign: "[AMBER] Use of Amber in distributed calculations"
• In reply to: Karol Kaszuba: "Re: [AMBER] number-of-EPS-exceeds-MAXESP"
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Hello again,

I have been trying to overcome this 100 000 ESP points limit in RESP by
putting
different formats in resp.f file however still without success. I am not
familiar with
Fortran so I don't want to guess. I would be grateful if someone can advise
me
which format in which lines I should put to overcome this ESP limitation in
RESP.
I am using RESP included in release 1.0 of AmberTools.

Thanks,
Karol
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• Previous message: drugdesign: "[AMBER] Use of Amber in distributed calculations"
• In reply to: Karol Kaszuba: "Re: [AMBER] number-of-EPS-exceeds-MAXESP"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]