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
