Dear all Amber users,I planned to do simulation of DNA in water. The DNA length is 36 bp. However after addition of 2 potassium ion, the input file (.inpcrd) was not generated.I get error message from the log
> saveamberparm wat1 ../input_wat/wat01.prmtop ../input_wat/wat01.inpcrd
Checking Unit.
FATAL: Atom .R<K 37>.A<K+ 2> does not have a type.
FATAL: Atom .R<K 38>.A<K+ 2> does not have a type.
/home/yoanes/programs/amber18/bin/teLeap: Fatal Error!
Failed to generate parameters
Exiting LEaP: Errors = 1; Warnings = 2; Notes = 0
I have added the definition for all the DNA atom in map.dg-AMBER but not for cation.What should I change to correct this problem?
YoanesUniversity of Greifswald
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Received on Wed Mar 25 2020 - 13:30:02 PDT
