Hello Amber users,
I hve done a LES simulation with Amber8. I hve only one LES region in my system. I am using ptraj in Amber9 to split the individual les copies. I prepared an input file as suggested in the Amber9 manual. But it is not writting seperate trajectory for each LES copy. Below is my input.
trajin ga_les1.mdcrd
trajout GALES les split
go
The process runs fine but it ouputs only one trajectory with name. GALES.mdcrd. I would also like to know about the average option with "les split" which is not clear for me.
Thanks in advance,
Bala
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Received on Wed Oct 25 2006 - 06:07:20 PDT
