Re: [AMBER] Program received signal SIGSEGV: Segmentation fault - invalid memory reference

From: David A Case <>
Date: Mon, 2 Nov 2020 20:58:54 -0500

On Tue, Nov 03, 2020, Sarah Jane wrote:

>Dear All,I am getting the following error during minimization:

  VDWAALS =           NaN  EEL     =           NaN  HBOND      =        0.0000 
  1-4 VDW =           NaN  1-4 EEL =      Infinity  RESTRAINT  =        0.0000

It seems very likely that you have one or more pairs of atoms that are
on top of each other in your starting coordinates. Use the "check"
action in cpptraj to look for bad contacts; visualization of your
starting coordinates may also help.


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Received on Mon Nov 02 2020 - 18:00:03 PST
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