[AMBER] Stop PMEMD Terminated Aborally. Tutorial 1.7 An Amber Lipid Force Field Tutorial: Lipid14.

From: 王维 <wangwei1619.yeah.net>
Date: Thu, 8 Jul 2021 20:59:47 +0800 (CST)

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
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