AMBER Archive (2003)

Subject: Re: NTX / INIT inconsistency

From: caldwell_at_heimdal.compchem.ucsf.edu
Date: Wed Mar 19 2003 - 17:13:15 CST

If you want INIT=3 behaviour (i.e.) new velocities
then just use irest=0/ntx=1 for the restart.

jim

On Wed, 19 Mar 2003, Sichun Yang wrote:

> Dear All,
>
> I have got the error message for NTX / INIT inconsistency.
>
> I have set NTX = 1, IREST = 1, INIT = 3.
> But INIT was changed to 4 automatically.
>
> Is that possible if I still want to stick to INIT = 3 for IRET = 1?
>
> Thanks,
> Sichun
> 

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