AMBER Archive (2009)

Subject: Re: [AMBER] hbond_DNAtraj

• Previous message: David A. Case: "Re: [AMBER] Pentavalent Phosphorous and Antechamber"
• In reply to: balaji nagarajan: "[AMBER] hbond_DNAtraj"
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Hi, Balaji,

I am not sure what exactly goes wrong, but I thought that your atom masks
might be wrong. Please check if other script works and if you need to update
your ptraj program.

Best,

Jianyin Shao

PTRAJ: donor mask :1-40_at_O
> Mask [:1-40_at_O] represents 1260 atoms
>
> PTRAJ: acceptor mask :1-40_at_N :1-40_at_H
> Mask [:1-40_at_N] represents 1260 atoms
> Mask [:1-40_at_H] represents 1260 atoms
>
>
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• Previous message: David A. Case: "Re: [AMBER] Pentavalent Phosphorous and Antechamber"
• In reply to: balaji nagarajan: "[AMBER] hbond_DNAtraj"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]