Thank you justin.
I will do the same.
On Tue, Apr 2, 2013 at 10:06 PM, Justin Lemkul wrote:
>
>
> On 4/2/13 9:24 AM, rama david wrote:
>
>> Thank you Massimo sandal, Justin and mark ,
>>
>> I also goes through the article and GMX archive.
>> But I confuse with the protocol ( I am naive in REMD
On 4/2/13 9:24 AM, rama david wrote:
Thank you Massimo sandal, Justin and mark ,
I also goes through the article and GMX archive.
But I confuse with the protocol ( I am naive in REMD .
So I want to conform protocol from the Expert and experience person )
I will be grateful to you for your su
On 4/2/13 7:38 AM, Erik Marklund wrote:
On 2 Apr 2013, at 13:30, Justin Lemkul wrote:
On 4/2/13 7:13 AM, rama david wrote:
Dear friends,
I am naive to the Replica exchange Molecular dynamics ( REMD).
I have plan to use REMD for temp. 310-320 K to my system.
I thoroughly searc
Thank you Massimo sandal, Justin and mark ,
I also goes through the article and GMX archive.
But I confuse with the protocol ( I am naive in REMD .
So I want to conform protocol from the Expert and experience person )
I will be grateful to you for your suggestion.
On Tue, Apr 2, 2013 at 6:4
I would look on some paper which temperature ranges and conditions
(NPT/NVT) were used for systems of a similar size and with a similar aim.
2013/4/2 rama david
> Dear friends ,
> Thank you justin and Mark for your suggestion
>
> I increases my temp range from 310-360 K
> Now I get 20 replicas
Dear friends ,
Thank you justin and Mark for your suggestion
I increases my temp range from 310-360 K
Now I get 20 replicas .
Is in such large temp range wlll it be good to use NPT.
Would you tell me the temp differences in which box instability generally
arises ..
Is my working-flow right or
On 2 Apr 2013, at 13:30, Justin Lemkul wrote:
>
>
> On 4/2/13 7:13 AM, rama david wrote:
>> Dear friends,
>> I am naive to the Replica exchange Molecular dynamics ( REMD).
>> I have plan to use REMD for temp. 310-320 K to my system.
>> I thoroughly search the Mailing-list Archive fo
On 4/2/13 7:13 AM, rama david wrote:
Dear friends,
I am naive to the Replica exchange Molecular dynamics ( REMD).
I have plan to use REMD for temp. 310-320 K to my system.
I thoroughly search the Mailing-list Archive for the REMD problem.
It was a really helpful to start.
My syst
Dear friends,
I am naive to the Replica exchange Molecular dynamics ( REMD).
I have plan to use REMD for temp. 310-320 K to my system.
I thoroughly search the Mailing-list Archive for the REMD problem.
It was a really helpful to start.
My system consist of peptide + water.
I used the
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