Re: whidth value of orientation in colvars

From: 서용일 (seoyi86_at_gmail.com)
Date: Thu Jan 09 2014 - 18:28:22 CST

Fiorin, I'm sorry that my mistake. I want to know unit of width, not "tilt"
but "orientation".

colvar {
    name Rotation_ring

    width 1.0 <-- what is unit of width?

    orientation {
        atoms {
            psfSegID 8RA
            atomNameResidueRange CA 1 - 8
        }
        refPositionsFile ../lt8mer.all.colvars.namd.coor
        refPositionsCol B
    }
}

Yongil

2014/1/9 Giacomo Fiorin <giacomo.fiorin_at_gmail.com>

> Yongil, the "tilt" variable is the cosine of the tilt angle. So the whole
> interval of values is -1 to 1. Cos(0) = 1.00 and cos(30) = 0.86, so you
> want the width to be small enough to distinguish well between those two
> values (e.g. width = 0.01).
>
> Giacomo
>
>
> On Thu, Jan 9, 2014 at 3:27 AM, 서용일 <seoyi86_at_gmail.com> wrote:
>
>> Dear NAMD users
>>
>> Hi, I'm using orientation component in colvars module for control of
>> protein's tilt angle.
>> I try to rotation of protein's tilt angle from 0 degree to 30 degree.
>> But, I don't know value of width in orientation either degree or radian.
>> Please let me know value of width in orientation component.
>>
>> best regard
>>
>> Yongil
>>
>
>

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