Re: How to restart metadynamics in namd

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Jan 09 2017 - 00:11:17 CST

http://colvars.github.io/colvars-refman-namd/colvars-refman-namd.html#x1-40002.1

On Mon, Jan 9, 2017 at 12:59 AM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> http://colvars.github.io/colvars-refman-namd/colvars-
> refman-namd.html#x1-60002.3
>
> On Sun, Jan 8, 2017 at 11:29 PM, Wang, X. Y. <jeffwang20_at_gmail.com> wrote:
>
>> Dear all,
>>
>> I used NAMD to run metadynamics. I checked the user guide but didn't find
>> how to restart it. Could anyone share an example configuration file for the
>> set up? Thank you.
>>
>> Dr Xingyong Wang
>>
>> Vice-Chancellor’s Postdoctoral Research Fellow
>>
>> School of Chemistry | B18.127
>>
>> University of Wollongong NSW 2522, Australia
>>
>> Ph: +61 2 4221 3281 <+61%202%204221%203281> | Email: xingyong_at_uow.edu.au
>>
>
>
>
> --
> Giacomo Fiorin
> Associate Professor of Research
> Institute for Computational Molecular Science (ICMS)
> College of Science and Technology, Temple University
> 1925 North 12th Street (035-07), Room 704D
> Philadelphia, PA 19122-1801
> Phone: +1-215-204-4213 <(215)%20204-4213>
>
> Scholar: http://goo.gl/Q3TBQU
> Personal: http://giacomofiorin.github.io/
> Lab page: https://icms.cst.temple.edu/members.html
>
> *"As computer programmers we have a responsibility to make sure that we
> run the computers instead of the computers running us."* - Steve Oualline
>
>
>

-- 
Giacomo Fiorin
Associate Professor of Research
Institute for Computational Molecular Science (ICMS)
College of Science and Technology, Temple University
1925 North 12th Street (035-07), Room 704D
Philadelphia, PA 19122-1801
Phone: +1-215-204-4213
Scholar: http://goo.gl/Q3TBQU
Personal: http://giacomofiorin.github.io/
Lab page: https://icms.cst.temple.edu/members.html
*"As computer programmers we have a responsibility to make sure that we run
the computers instead of the computers running us."*  - Steve Oualline

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