Unhandled case 001 #54
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Writing Lammps data file... ============== Still in BETA here ============== Sidemols: 4600 ** New side molecule : SOL 1st atom : OW ** ** New side molecule : ETH 1st atom : C ** |
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Replies: 3 comments
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Hello @sanaper-cloud, I have no clue what are you trying to achieve. Best regards, |
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I need lammps file by converting .gro and .top file. |
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Hello @sanaper-cloud, I think there could be some naming mismatch between some molecules (tag), and molecule definition. Best, |
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Hello @sanaper-cloud,
I think there could be some naming mismatch between some molecules (tag), and molecule definition.
But I am not sure, since I don't know what is in your files.
You can check the examples folder that comes with GRO2LAM.
Best,
Hernan