AMBER Archive (2009)
Subject: Re: [AMBER] missing violations of the covalent geometry

From: Helena P M Tossavainen (haitio_at_cc.helsinki.fi)
Date: Tue Apr 07 2009 - 07:10:16 CDT

Previous message: Hannes Wallnoefer: "[AMBER] TI production runs stop after a certain Step number"
In reply to: David A. Case: "Re: [AMBER] missing violations of the covalent geometry"
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> Are you running a parallel simulation?

Yes, I am running a parallel simulation. And as you suggested I get the
missing values from a one-step serial simulation. Thank you very much!

Best regards,
Helena Tossavainen

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Previous message: Hannes Wallnoefer: "[AMBER] TI production runs stop after a certain Step number"
In reply to: David A. Case: "Re: [AMBER] missing violations of the covalent geometry"
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]