From: Chitrak Gupta (chgupta_at_mix.wvu.edu)
Date: Fri Mar 25 2016 - 17:20:57 CDT
I actually have a follow-up question.
When I restrain the difference to 0, do I do this by putting another
harmonic potential on it, or is there some other way to retrain a colvar?
Chitrak.
On Fri, Mar 25, 2016 at 11:58 AM, Chitrak Gupta <chgupta_at_mix.wvu.edu> wrote:
> Hi Giacomo,
>
> Thanks for the input. I do not need the distances to be exactly equal, so
> this should solve my problem.
>
>
> Regards,
> Chitrak.
>
> On Thu, Mar 24, 2016 at 5:53 PM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
> wrote:
>
>> Hello Chitrak, you could define a variable as the difference between two
>> distances (there is an example in the manual) and restrain the difference
>> near zero.
>>
>> Note that an exact equality will not be possible, because that would
>> require a constraint solver.
>>
>> On Thu, Mar 24, 2016 at 5:49 PM, Chitrak Gupta <chgupta_at_mix.wvu.edu>
>> wrote:
>>
>>> Hello!
>>>
>>> I am newly using the colvars module. Is there a way to vary two
>>> different colvars distance in a way that they are always equal to each
>>> other? Basically, I want to vary two distances simultaneously, resulting in
>>> only one dimension. Is that possible?
>>>
>>>
>>> Regards,
>>> Chitrak.
>>>
>>
>>
>>
>> --
>> Giacomo Fiorin
>> Assistant Professor of Research
>> Institute for Computational Molecular Science (ICMS)
>> College of Science and Technology, Temple University
>> 1925 North 12th Street (035-07), Room 704D
>> Philadelphia, PA 19122-1801
>> Phone: +1-215-204-4213
>>
>> Scholar: http://goo.gl/Q3TBQU
>> Personal: http://giacomofiorin.github.io/
>> Lab page: https://icms.cst.temple.edu/members.html
>>
>> *"As computer programmers we have a responsibility to make sure that we
>> run the computers instead of the computers running us."* - Steve
>> Oualline
>>
>>
>>
>
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