I am trying to execute the aMD tutorial
I get the following error on the execution of the command (looks to me there is some issue with the input file which I cannot spot)
$AMBERHOME/bin/pmemd.cuda -O -i md_wat.in -o md_wat.out -p ../*.prmtop -c ../1_/*.rst -r md_wat.rst -ref ../1_/*.rst
file = 'md_wat.in')
Fortran runtime error: Cannot match namelist object name .
Error termination. Backtrace:
#0 0x7f5067b51d21 in ???
#1 0x7f5067b52869 in ???
#2 0x7f5067b5354f in ???
#3 0x7f5067d9165d in ???
#4 0x7f5067d9aae7 in ???
#5 0x7f5067d9ad0c in ???
#6 0x7f5067d9ae67 in ???
#7 0x564e60b64a51 in ???
#8 0x564e60c1fb82 in ???
#9 0x564e60c00118 in ???
#10 0x564e60b319ce in ???
#11 0x7f5067948082 in __libc_start_main
at ../csu/libc-start.c:308
#12 0x564e60b4d74d in ???
#13 0xffffffffffffffff in ???
raghuvir.prometheus:~/amber-amd$
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Received on Wed May 10 2023 - 10:30:02 PDT
