AMBER Archive (2004)

Subject: AMBER: File format generated by respgen

From: Lishan Yao (yaolisha_at_mail.msu.edu)
Date: Mon Jan 05 2004 - 10:50:38 CST

Dear Amber users:
     I use respgen to generate a respin file. I'm just curious about the
content in this file. Can anyone tell me what are these numbers? Thanks
in advance.

Best,
Lishan

Resp charges for organic molecule

 &cntrl

 nmol = 1,
 ihfree = 1,
 ioutopt = 1,

 &end
    1.0
Resp charges for organic molecule
   -2 89
    7 0
    6 0
    6 0
    8 0
    6 0
    6 0
    7 0
    6 0
    6 0
    8 0
    6 0
    6 0
    6 0
    8 0
    8 0
    7 0
    6 0
    6 0
    8 0
    6 0
   16 0
    7 20
    6 21
    6 22
    8 23
    6 0
   16 25
    7 0
    6 0
    6 0
    8 0
    6 0
    6 0
    8 0
    8 0
   30 0
    7 0
    6 0
    8 0
    7 0
    6 0
    8 0
    6 0
    6 0
    1 0
    1 49
    1 0
    1 0
    1 0
    1 0
    1 0
    1 0
    1 0
    1 57
    1 0
    1 0
    1 0
    1 0
    1 0
    1 0
    1 0
    1 65
    1 0
    1 0
    1 0
    1 0
    1 65
    1 65
    1 67
    1 68
    1 0
    1 0
    1 0
    1 77
    1 0
    1 0

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