[gmx-users] Gro file does not match topology

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Thu Jan 26 18:56:11 CET 2017


Hello gromacs users: I´m trying to do a minimization with 26 dppc 230 dppe 8960 water and 72 molecules of a compound. But when i used grompp the following error appears: gro file (58674) does not match with top file (58666). Also i tried with 8961 molecules of solvent and the same error appears gro (58674) top (58669), 8962 solv gro (58674) top (58672), 8963 solv gro (58674) top (58675) and 8964 molecules of solvent and the same error appears with gro file (58674) and top file (58678). What can i do in this case? I read in the forum about divided the number by 3 but i don´t know how.

My top is

DPPC 26

DPPE 230

Compund 72

Water 8960



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