[gmx-users] Pull code vs. manual pull for umbrella sampling

[Justin Lemkul]

On 1/24/14, 2:34 PM, shivangi nangia wrote:
> Hello,
>
> I wish to perform umbrella sampling without using the pull code.
> I have varied starting configurations for protein-bilayer.
>
> Is there any advantage(s) of doing a manual pull versus the pull code or
> vice-versa?
> What is the reason to do it with pull force?
>

I think you need to provide more detail on what you are doing or are planning to 
do.  What is manual pulling?

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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