Respected group members,
Recently I have asked about converting a DNA into mol2 format using
antechamber and was advised to directly generate the coordinate and
topology files for the same since its not an artificially modified dna. I
did that and could successfully do the minimization. But when I had done
the heating stage, the following error occurred. I tried including the
vlimit in the input script but still the error repeated.
pmemd.cuda -O -i nvt_md1.in -c dna_min2.rst7 -p dna.prmtop -o dna_nvt.out
-r dna_nvt.rst7 -x dna_nvt.nc
Error: an illegal memory access was encountered launching kernel kNLSkinTest
I have attached both the input script and the incomplete output file along.
I have tried doing the heating in small stages even then the same error
occured. Please suggest any possible solution for the same.
Thank you
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Received on Sat Jan 18 2020 - 04:00:02 PST
