Re: Need help with errors in REST2 sample file

From: Chandni Tiwari (chandni.tiwari_at_monash.edu)
Date: Tue Oct 22 2019 - 17:47:16 CDT

Hi Yuwei,

Maybe share the configuration file as well.

On Tue, 22 Oct 2019 at 14:34, Han, Yuwei <yuwei.han17_at_imperial.ac.uk> wrote:

> Hey, I am a fresh user of NAMD. These days, I was trying to use the rest2
> program in NAMD 2.13. I think I met some problems with repeating the
> example file from lib/replica/REST2, and the script file is
> lib/replica/REST2/rest2_remd.namd. I followed the tutorial from follow
> the README.txt file in lib/replica directory. The following is the
> problem I met:
>
> Info: Configuration file is job0.conf
> Info: Working in the current directory
> /share1/home/hanyw/NAMD/REMD-60%/REST2/REST2
> TCL: Reduction callback proc set to save_callback
> TCL: Suspending until startup complete.
> ERROR: The following variables were set in the
> ERROR: configuration file but are NOT VALID
> ERROR: soluteScalingFactor
> ERROR: soluteScalingAll
> ERROR: soluteScalingFile
> ERROR: soluteScalingCol
> ERROR: soluteScaling
> FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
>
> I am pretty new to this area, I know that it might be easy for you to deal
> with it. However, for me, this example has bothered me for a few days. May
> I ask what should I do based on this?
>
> Thank you so much!!
> Best
> Yuwei
>

-- 
Regards
Chandni Tiwari

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