[gmx-users] GROMACS2016.1 Compiling with ORCA
S M Bargeen Turzo
smbargeen.turzo.2016 at owu.edu
Tue Jun 19 17:10:56 CEST 2018
Hi,
I want to compile gromacs 2016.1 with ORCA 4.0.1 and I was going through
the file CMakeList.txt and I arrived at the following inputs in line
264[1]. So when I compile GROMACS2016 with ORCA this do I have to call this
command somehow? Also looking at [1] I see that "None" is mentioned twice.
Any insights will really help thanks.
-------------------------------------------------
[1]
gmx_option_multichoice(
GMX_QMMM_PROGRAM
"QM package for QM/MM"
None
none gaussian mopac gamess orca)
-------------------------------------------------
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