Re: How to create repulsive particle ?

From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Tue Nov 21 2006 - 15:45:01 CST

Thanks for answer !

One more general question: Is it possible to import into Tcl Forces some precompiled and wrapped, say C/C++, library to skip slow Tcl numerical calculations ?

And, if YES, is it sufficient to put the like like "import <smthg>" ? There that library should be saved (folder)? Should it be written right after the starting Tcl script:

tclForcesScript {

   import <smthg>

   ...

}

Best
Arturas

>Hi Arturas,
>as far as I know this is not possible without editing the NAMD energy
>function (found in ComputeNonbondedBase2.h), although hopefully future
>versions will make this easier.
>Peter
>
>Arturas Ziemys wrote:
>> Hi,
>>
>> I am searching ways to introduce the particle which has only repulsive force and the repulsion is applied to some set or types of atoms: the rest atoms are "transparent" to the repulsive forces of that particle.
>>
>> Is there any way to implement that without Tcl forces in NAMD ?
>>
>> References to some similar implementations would be welcome.
>>
>> Best
>> Arturas
>>
>>
>>
>

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