Genion pname and NA atom type not working on supercomputer

User discussions
1

GROMACS version: 2020.4
GROMACS modification: No

I get the error posted below when I try to run genion on a supercomputer. The error states that pname and NA files do not exist or are not accesible. However, I am not having this problem with nname, CL, or neutral.

Please help! Thanks in advance

Error in user input:
Invalid command-line options
In command-line option -p
File ‘pname’ does not exist or is not accessible.
The following extensions were tried to complete the file name:
.top
In command-line option -p
File ‘NA’ does not exist or is not accessible.
The following extensions were tried to complete the file name:
.top

2

Hi,
from the reported error it looks like that you have a misspelling the the command line

For example something like
gmx genion -p pname NA (wrong)
in place of
gmx genion -p topol.top -pname NA

Best regards
Alessandra

3

Thank you so much! I can’t believe I made such careless mistake.

Thank you once again! You gave me an early Christmas present.