On Wed, Oct 14, 2020, Liao wrote:
>
>The 1st way is when I switch back to ff14SB (with nothing else changed
>but the random seed), by regenerating the prmtop file, it runs and
>completes normally. But since I’ve got Amber 20, I still want to try
>use the ff19sb.
Can you create a (small?) example that illustrates the problem with
ff19sb? We would need a prmtop, inpcrd and mdin files, plus the actual
command line you used to run the program.
...thanks...dac
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Received on Thu Oct 15 2020 - 05:30:02 PDT
