Re: Does "rigidbond off" work instead of "rigidbonds none"

From: Mert Gür (gurmert_at_gmail.com)
Date: Fri Sep 03 2010 - 04:25:40 CDT

Dear Leonardo,
Thanks a lot.
I searched in the log file. There is no "RIGID" word in it.
So I assume the "rigidbonds off" command worked.
Best,
Mert

On Fri, Sep 3, 2010 at 9:21 AM, Leonardo Trabuco <ltrabuco_at_ks.uiuc.edu>
wrote:
> Dear Mert,
>
> On Thu, Sep 2, 2010 at 10:03 PM, Mert Gür <gurmert_at_gmail.com> wrote:
>> Dear all,
>> This question is just out of curiosity.
>>
>> One of my friends did a long MD simulation writing "rigidbonds off" in
>> the configuration file.
>> However in the user guide it says that
>>
>> Acceptable Values: none, water, all
>>
>> My friends MD simulation have run for a long time.
>>
>> Does using "rigidbonds off" mean "rigidbonds none"?
>> If so could I use "off" for any of the "none" values in the configuration
file?
>> If it does not mean "rigidbonds none" how can I check what it actually
did?
>
> Have you looked at the log file? Something like:
>
> Info: RIGID BONDS TO HYDROGEN : WATER
> (...)
>
> Cheers,
> Leo
>
>> I am asking these questions because I am planning to use the resulting
>> trajectory for further analysis (TMD and SMD).
>>
>> Best,
>> Mert
>>
>>
>
>
>
>
> --
> Leonardo Trabuco, Ph.D.
> CellNetworks, BioQuant
> University of Heidelberg, Germany
>

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