Ross,
I think that you described it reversed- smaller values mean stronger
coupling,
larger ones are weaker.
cheers
Carlos
Ross Walker wrote:
>Dear Zhuang,
>
>
>
>>Hi...I'm simulating RNA in explicit water...I'm just wondering if
>>anyone can give me some suggestion on what the value of tautp should
>>be...the manual says usually tautp is between 0.5 and 5...with
>>default=1...would I be ok using the default value? Otherwise what
>>value should I use? thanks
>>
>>
>
>This is really just a tuning parameter for use during heating and
>equilibration. Your best bet is just to leave it at the default and see what
>happens. If you find that your system has very large deviations from the
>target temperature that it take a long time to 'recover' from then you could
>try increasing the value of tautp to give greater coupling. On the other
>hand if you want the thermostat to have less of an effect on the dynamics of
>the system then set the value smaller.
>
>In short, if you don't have a good reason for changing the value leave it at
>the default.
>
>All the best
>Ross
>
>/\
>\/
>|\oss Walker
>
>| Department of Molecular Biology TPC15 |
>| The Scripps Research Institute |
>| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
>| http://www.rosswalker.co.uk | PGP Key available on request |
>
>Note: Electronic Mail is not secure, has no guarantee of delivery, may not
>be read every day, and should not be used for urgent or sensitive issues.
>
>
>
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Received on Tue Oct 04 2005 - 13:53:01 PDT
