unanswered martinize modify function error

  • nanogod
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2 years 9 months ago #9194 by nanogod
martinize modify function error was created by nanogod
Hi all,

I am just starting to use martini3 and martinize2. When i try to convert my peptide to CG with martinize2 i want to modify all Arg residues to have a neutral side chain charge. I run the following command:

martinize2 -f pep.pdb -x pep_cg.pdb -o topol.top -dssp /usr/bin/dssp -mutate ARG:ARG0

and get:
NameError: ARG0 is not known as a mutation for force field universal

I have tried different commands with chain and residue specification. Also tried different methodologies for the modification. However, I always get the same error.

I have a difficult time to find documentation on possible modifications or methodology for martinize2.

hope someone can help me :)

best regards

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