Re: AMBER: How to apply a force to some atom in a residues?

From: Carlos Simmerling <carlos.csb.sunysb.edu>
Date: Wed, 29 Nov 2006 07:26:19 -0500

the Amber manual has a section for the GROUP syntax that shows how
to specify atoms.

a a wrote:

>
>
>
>> From: "a a" <patd_2.hotmail.com>
>> Reply-To: amber.scripps.edu
>> To: amber.scripps.edu
>> Subject: Re: AMBER: nmode output with ptraj
>> Date: Wed, 29 Nov 2006 11:18:32 +0800
>>
>> Dear Sir/Madam,
>>
>> Could you mind to teach me how to assign a force to some of the atoms
>> in a residue for MIN and MD calculations?
>>
>> I know if I have to apply a force to a residue, I need "RES 1 4" in
>> the in file. like this?
>> ----------------------------
>> Keep DNA fix
>> 10.0
>> RES 1 4
>> ----------------------------
>>
>> How about if I just want to fix the C1, C2, C3 and C4 atoms in the
>> RES 1? What can I do?
>>
>> Best regards,
>>
>> Annie
>>
>> _________________________________________________________________
>> No masks required! Use MSN Messenger to chat with friends and family.
>> http://go.msnserver.com/HK/25382.asp
>>
>> -----------------------------------------------------------------------
>> The AMBER Mail Reflector
>> To post, send mail to amber.scripps.edu
>> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
> _________________________________________________________________
> Get 10Mb extra storage for MSN Hotmail. Subscribe Now!
> http://join.msn.com/?pgmarket=en-hk
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Dec 03 2006 - 06:07:07 PST
Custom Search