Hi Jason,
First let me thank you for your ultrafast response and above all for
your help. I will be most thankful if you could send me your program.
My E-mail: arikcohen.ucla.edu.
Thanks a lot again,
Best wishes,
Arik
On 8/25/2010 1:16 PM, Jason Swails wrote:
> Hi Arik,
>
> rdparm (part of ptraj) does this.
>
> I've also recently written an amber topology class in python that will take
> an amber prmtop and (optionally) print out a complete frcmod with all of the
> parameters necessary that can be directly loaded into leap without
> modifications, among other things. If you're interested in this, I can send
> you the code with brief instructions on how to use it.
>
> Send me an email off-list if you're interested.
>
> All the best,
> Jason
>
> On Wed, Aug 25, 2010 at 4:01 PM, arikcohen<arikcohen.ucla.edu> wrote:
>
>> Dear Amber users,
>>
>> I would be most thankful If you could help me with the following: I
>> would like to go back and extract the parameters(i.e bond length,
>> angles, force constants ...) that amber used for my substrate (An MD
>> trajectory was run)
>>
>> I thank you in advance for all your help.
>>
>> Arik
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 25 2010 - 14:30:04 PDT
