[gmx-users] Umbrella_pull_simulation

[shahid nayeem]

I thought this time to be sufficient without any reasonable basis.
shahid Nayeem

On Fri, Feb 24, 2012 at 7:40 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> shahid nayeem wrote:
>
>> My system is a  protein-protein complex. After pulling I selected windows
>> at 0.1nm from an initial COM distance of 3.65nm to 5.7nm and thereafter
>> windows at 0.2nm spacing was selected  upto 7.5nm. In each window 10ns MD
>> was done and g_wham command was run neglecting the fist 1ns run for
>> equilibriation.
>>
>
> OK, so how did you decide that 10 ns was sufficient in each window?
>
> -Justin
>
>
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> Justin A. Lemkul
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