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marioe911116
Nov 4, 2023, 11:46:13 AM11/4/23
to gmx_MMPBSA
You are selecting groups 3 and 4 (C-alpha and Backbone) which is clearly not what you want. Probably the groups are (1 and 13, Protein and LIG). Please, read carefully the documentation (https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/getting-started/) and understand how the program works with examples (https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/examples/). Don't use it as a black box. Before posting every single error, please, look carefully in the group and the issue tracker (https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA/issues), I am pretty sure someone already had the same error.
Thanks
El sábado, 4 de noviembre de 2023 a las 9:36:43 UTC-6, hib...@gmail.com escribió:
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