AMBER Archive (2009)

Subject: Re: [AMBER] Distance restraints between groups of atoms

• Previous message: Marek Maly: "[AMBER] SOS - too high binding energy"
• In reply to: Germain Vallverdu: "Re: [AMBER] Distance restraints between groups of atoms"
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On Tue, Jun 09, 2009, Germain Vallverdu wrote:
>
> I succeed in chosing another constraint with less atoms. Do I must
> define the flag IGR1 ? or do I only need IGR2 in my data ?

igr1 is ignored when iat > 0.

...dac

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• Previous message: Marek Maly: "[AMBER] SOS - too high binding energy"
• In reply to: Germain Vallverdu: "Re: [AMBER] Distance restraints between groups of atoms"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]