RE: spinAngle

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Jan 18 2012 - 13:06:47 CST

Sorry, I have no idea how your system is organized nor what you intend to
do. Can you please write specifically what section of the manual is not
clear?
On Jan 18, 2012 1:47 PM, "Buddhadev Maiti" <bmaiti_at_gsu.edu> wrote:

> Dear Giacomo,
>
> Thanks you very much for kind reply. My problem is that how can I prepare
> colvarsConfig file, it is not clear for me from manual basicall format of
> defined atoms for angle and axis in colvarsConfig. Could you please reply
> me, it will be great help for me.
>
> Have a nice day,
> Thanks again,
> Maiti
> ------------------------------
> *From:* Giacomo Fiorin [giacomo.fiorin_at_gmail.com]
> *Sent:* Wednesday, January 18, 2012 1:32 PM
> *To:* Buddhadev Maiti
> *Cc:* namd-l
> *Subject:* Re: spinAngle
>
> Sure, what is the specific problem?
> On Jan 18, 2012 1:27 PM, "Buddhadev Maiti" <bmaiti_at_gsu.edu> wrote:
>
>> Dear Giacomo,
>>
>> I am trying to perform umbrella sampling using spinAngle as a colective
>> variables. I just wounder to know how can I prepare covarconfig file
>> basically how can I define atoms and axis. Could you please give me reply,
>> it will be great help for me.
>>
>> Have a nice day,
>> Thanks,
>> Maiti
>>
>

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