AMBER Archive (2005)

Subject: Re: AMBER: ico(i)=-1?

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Sat Feb 26 2005 - 09:42:08 CST


Hi,

In the amber8 manual (page 285), it says "If index is positive, this is
an index into the 6-12 parameter arrays (CN1 and CN2) otherwise it is an
index into the 10-12 parameter arrays (ASOL and BSOL)."

Guanglei

Xiao He wrote:
> Dear Amber Users,
> In one of my top files:
> %FLAG NONBONDED_PARM_INDEX
> %FORMAT(10I8)
> 1 2 4 7 11 16 22 29 37 46
> 2 3 5 8 12 17 23 30 38 47
> 4 5 6 9 13 18 24 31 39 48
> 7 8 9 10 14 19 25 32 40 49
> 11 12 13 14 15 20 26 33 41 50
> 16 17 18 19 20 21 27 34 42 51
> 22 23 24 25 26 27 28 35 43 52
> 29 30 31 32 33 34 35 36 44 53
> 37 38 39 40 41 42 43 44 45 -1
> 46 47 48 49 50 51 52 53 -1 55
>
> Could anyone tell me what is the problem.Thanks in adavance!
>
>         Xiao He
>         hx_at_itcc.nju.edu.cn
>           2005-02-26
>
>
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