[gmx-developers] Re: gmx-developers Digest, Vol 49, Issue 6

[Catfish SUN]

Dear Mark,

Thanks for your reply and sorry for not onlines these days.

My tabulated function need a "different" algorithm because:
1. I can not get the tabulated values for those very close interaction
2. the interval between my tablulated values is not a constant.

Best Regards,
On Fri, May 9, 2008 at 6:00 PM,  <gmx-developers-request at gromacs.org> wrote:
>   3. How to add my own force code into gromacs? (Catfish SUN)
>   4. Re: How to add my own force code into gromacs? (Mark Abraham)
>
> ------------------------------
>
> Message: 3
> Date: Fri, 9 May 2008 17:39:29 +0800
> From: "Catfish SUN" <catfish.hku at gmail.com>
> Subject: [gmx-developers] How to add my own force code into gromacs?
> To: gmx-developers at gromacs.org
> Message-ID:
>        <82a730d30805090239i7d6bb710od918a4f77cf943e1 at mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
>
> Dear all,
>
> I am developing my own force code and want to add it to gromacs for
> testing first.
>
> the force is developed from statistical anlysis and writen in a
> tabulated form. It's something like the tabulated function listed in
> section 6.6 of the mannual except the algorithm is different.
>
> Now the question is where should I add my force code into gromacs and
> how to input the tabulated data so that I can use it in gromacs?
>
> Thanks a lot
>
>
> ------------------------------
>
> Message: 4
> Date: Fri, 09 May 2008 19:45:51 +1000
> From: Mark Abraham <Mark.Abraham at anu.edu.au>
> Subject: Re: [gmx-developers] How to add my own force code into
>        gromacs?
> To: Discussion list for GROMACS development
>        <gmx-developers at gromacs.org>
> Message-ID: <48241D4F.6040004 at anu.edu.au>
> Content-Type: text/plain; charset=UTF-8; format=flowed
>
> Catfish SUN wrote:
>> Dear all,
>>
>> I am developing my own force code and want to add it to gromacs for
>> testing first.
>>
>> the force is developed from statistical anlysis and writen in a
>> tabulated form. It's something like the tabulated function listed in
>> section 6.6 of the mannual except the algorithm is different.
>>
>> Now the question is where should I add my force code into gromacs and
>> how to input the tabulated data so that I can use it in gromacs?
>
> In what sense does your tabulated function need a "different" algorithm?
>
> Mark
>
>
> ------------------------------
>
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>
> End of gmx-developers Digest, Vol 49, Issue 6
> *********************************************
>