Hello AMBER users,
I am doing Umbrella Sampling on a protein-ligand system, but it showing the
following error for the production run of the system, ERROR: nfft1 must be
in the range of 6 to 512! And the "gridhi" parameter in mdin_ewald_dat.F90
(in $AMBERHOME/src/pmemd/src) is already 512 (
http://archive.ambermd.org/201706/0108.html). How can I solve this error?
Thanks in advance...
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Received on Thu Jun 25 2020 - 03:00:03 PDT
