From: Richard Law (rlaw_at_hanyou.llnl.gov)
Date: Wed May 30 2007 - 15:15:54 CDT
If you search "convergence replica exchange" in pubmed you get a ton of
good papers including good introductions and discussions of the method.
On Wed, 30 May 2007, L. Michel Espinoza-Fonseca wrote:
> Thank you for your comments.
>
> Cheers,
> Michel
>
> 2007/5/29, Ana Celia Araujo Vila Verde <avilaverde_at_engr.psu.edu>:
>>
>>
>>
>>
>> Hi,
>>
>> I've found these useful (not reviews, but useful papers)
>>
>> Periole X and Mark A E 2007 Convergence and sampling efficiency in replica
>> exchange simulations of peptide folding in explicit solvent J. Chem. Phys.
>> 126
>>
>> Sugita Y and Okamoto Y 1999 Replica-exchange molecular dynamics method for
>> protein folding Chem. Phys. Lett. 314 141-151
>>
>> Wei G H and Shea J E 2006 Effects of solvent on the structure of the
>> Alzheimer amyloid-beta(25-35) peptide Biophys. J. 91 1638-1647
>>
>> Ana
>>
>> ________________________________
>>
>> From: owner-namd-l_at_ks.uiuc.edu on behalf of L. Michel Espinoza-Fonseca
>> Sent: Tue 5/29/2007 1:47 PM
>> To: NAMD
>> Subject: namd-l: Replica exchange MD
>>
>>
>>
>>
>> Hi all,
>>
>> Does anybody know any good review on Replica Exchange MD simulations?
>> I'm very interested in trying it with NAMD, but I haven't found any
>> paper where the pros and cons are described/discussed.
>>
>> Thank you.
>>
>> Cheers,
>> Michel
>>
>
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