Hi Amber,
I am trying to build N-methyl acetamide solvated with various solvents. The
Amber documentation lists MEOHBOX and CHCL3BOX as options. However, even
though I load the frcmod files correctly, solvatebox returns an error
("solvateBox: Argument #2 is type String must be of type: [unit]") when I
try to solvate. What's going on here? My tleap files are below.
Thank you!
Best,
Dan
source leaprc.protein.ff14SB
loadAmberParams frcmod.meoh
mol = sequence {ACE NME}
solvatebox mol MEOHBOX 15.0
savepdb mol NMA_meoh.pdb
saveamberparm mol NMA_meoh.prmtop NMA_meoh.inpcrd
quit
----
source leaprc.protein.ff14SB
loadAmberParams frcmod.chcl3
mol = sequence {ACE NME}
solvatebox mol CHCL3BOX 15.0
savepdb mol NMA_chcl3.pdb
saveamberparm mol NMA_chcl3.prmtop NMA_chcl3.inpcrd
quit
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Received on Mon Jan 24 2022 - 14:00:03 PST
