Please include the I put file too, it looks like an error reading your
restraints but we can't see what you put in the input.
On Thu, Jul 8, 2021, 9:00 AM 王维 <wangwei1619.yeah.net> wrote:
> Hi, all,
>
>
> I am following the tutorial Tutorial 1.7 An Amber Lipid Force Field
> Tutorial: Lipid14. When I started to heat the system, I get a output as
> "Stop PMEMD Terminated Aborally", and the last several rows of the
> 02_Heat.out file is:
> "
> 5. REFERENCE ATOM COORDINATES
>
>
> default_name
>
> ----- READING GROUP 1; TITLE:
> Hold lipid fixed
>
>
>
> GROUP 1 HAS HARMONIC CONSTRAINTS 10.00000
>
>
> rfree: Error decoding variable 4 2 from:
> RES 1 384 !
> "
> I used the command "pmemd" but not the "pmemd.CUPD" since I am learning
> Amber in a virtual machine.
> Is there any way to fix this problem?
> Thanks for help.
>
>
> Best regards,
> Wang Wei
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Received on Thu Jul 08 2021 - 06:30:02 PDT
