[gmx-users] J-walking REMD

[Mark Abraham]

On 01/02/10 18:50, David van der Spoel wrote:
> On 2/1/10 6:01 AM, Mark Abraham wrote:
>> On 27/01/10 19:00, David Parcej wrote:
>>> Dear All
>>> Some time ago there was a discussion concerning the problems of REMD for
>>> large systems and the possibility of using the REST implementation of
>>> the method.
>>> Mark, you mentioned that you had coded an implementation Okur method
>>> (JCTC, 2006, 2, 420). How did it work and can you make this available?
>>> Any other thoughts on REMD for large systems are also appreciated.
>>
>> I still have my implementation, but didn't use it in anger. Reworking it
>> for GROMACS 4 and using it is on my short-term to-do list.
>>
>> Mark
> Just out of curiosity what does this expression "didn't use it in anger"
> mean?

Apologies, that was too idiomatic for this forum. It means I "didn't use 
it in earnest", i.e. use it thoroughly and satisfy myself that the 
implementation was working properly.

See OED entry 2a 
http://dictionary.oed.com/cgi/entry/50008418?query_type=word&queryword=anger&first=1&max_to_show=10&sort_type=alpha&result_place=1&search_id=jUhb-KYDqdW-221&hilite=50008418

Mark