AMBER Archive (2006)

Subject: AMBER: splitting LES with ptraj in amber9

From: bala (bala_at_igib.res.in)
Date: Tue Oct 24 2006 - 00:18:16 CDT


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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