From: Rahul Bhowmik (Rahul.Bhowmik_at_ndsu.edu)
Date: Sat Nov 03 2007 - 10:43:57 CDT
Hi Meng:
Thank you for your mail. I am trying to use new potential function with
NAMD which has different terms different from the traditional force
fields (CHARMm or Amber). The details of this new potential function is
available in J. Mol, Bio. (vol. 331, page no. 281-229, year. 2003). Is
it possible to incorporate new type of potential function in topology or
any other file. If it is then how it can be performed ?
Sincerely
Rahul Bhowmik
Ming wrote:
> Hi there,
> To my knowledge, it's feasible. I have been convert an Amber topology file into
> CHARMm format, and it works well. Do you have any specific question?
>
>
> Good luck
> Ming
>
>
> 在您的来信中曾经提到:
>
>> From: rahul.bhowmik_at_ndsu.edu
>> Reply-To:
>> To: namd-l_at_ks.uiuc.edu
>> Subject: namd-l: Potential function (force field) in NAMD
>> Date:Fri, 2 Nov 2007 18:49:27 -0500 (CDT)
>>
>> Dear all:
>>
>> Is it possible to use any new potential function (force field) or modify
>> the existing force fields (e.g., CHARMm, Amber etc) in NAMD. Any help
>> regarding this would be highly appreciated
>>
>> Thank you
>>
>> Regards
>> Rahul Bhowmik
>> Post Doctoral Fellow
>> Chemical and Biomolecular Engineering
>> Johns Hopkins University
>> Baltimore, MD-21218
>> Phone: (410) 516-7308
>>
>>
>>
>
>
>
>
> ------------------------------
> We are but we make……
>
>
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