[AMBER] Should ig value be set explicitly?

From: Azade Yazdan Yar <azade.yazdanyar.gmail.com>
Date: Mon, 13 Feb 2017 17:17:41 +0100

Dear all,

In my simulations I am using 'ntt=3'.
I noticed that the ig value is better to be set to '-1'.
I forgot to do this and now I have a set of restarted simulations in which
ig parameter is not set. Although in the manual it says that the default
value for this parameter is '-1', but when I look in the mdout files of
different restart runs, all of them have the exact same ig value (71277)
(actually ig has this value in any simulation which I have done so far with

My question is that: if the default value is -1 in the case where I have
not defined this parameter explicitly, why all the mdouts have the same ig?
and should I rerun my simulations with 'ig=-1'?

Thanks a lot for your help and concern.

Best regards,
AMBER mailing list
Received on Mon Feb 13 2017 - 08:30:03 PST
Custom Search