I am running genion neutralize the charge of my protein.
I got an error that wasn't very descriptive
Fatal error:
Cannot read from input
The part of the script that called this program read as follows
/usr/local/gromacs-4.5.5/bin/grompp -f em.mdp -c filled_box.pdb -p
protein_mod_filled5.top -o ions
So I need to provide a group for the function genion, in the example you
provided g-energy has several group names. Where do I find the group names
for genion?
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Graduate Student
University of Iowa
Cheatum Research Group
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I created a text file called choices with the number corresponding to the
ions group. I then had the text file as an argument for the genion function.
I still got the same input error.
-
Graduate Student
University of Iowa
Cheatum Research Group
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The useful part of the error file
-f em.mdp Inputgrompp input file with MD parameters
-po mdout.mdp Output grompp input file with MD parameters
-c filled_box.pdb InputStructure file: gro g96 pdb
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