On Fri, Dec 30, 2022, İmren Bayıl via AMBER wrote:
>I want to convert my amber files to gromacs format using parmed
>my amber files which are step3_input.parm7 and step3_input.rst7,want to
>convert to gro and top files.
>I have used these commands:
>/amber20/ParmEd-3.4.3$ python
>import parmed as pmd
>amber = pmd.load_file('parm7', 'rst7')
I think the arguments here need to be something like 'step3_input.parm7' and
'step3_input.rst7', not just 'parm7' and 'rst7') Give that a try.
....dac
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Received on Fri Dec 30 2022 - 14:00:03 PST
