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marrink-lab / TS2CG1.1

TS2CG version 1.1
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Update Membrane_Builder.cpp #3

Open MelaKoenig opened 3 years ago

MelaKoenig commented 3 years ago

Change in gro file output

weria-pezeshkian commented 3 years ago

Are you sure about this change? can gromacs and vmd read such file? gro file is a fixed format

MelaKoenig commented 3 years ago

The format before was simply wrong. I tried with a long residue name (POPI3_345) and it actually printed it full length thus conflicting with the gromacs file format.

weria-pezeshkian commented 3 years ago

can you check and see if your change works then!

On Fri, Sep 24, 2021 at 10:18 AM Melanie König @.***> wrote:

The format before was simply wrong. I tried with a long residue name (POPI3_345) and it actually printed it full length thus conflicting with the gromacs file format.

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