Hi gmx'users, I runnning MD simulation that the *.gro output file was written to inverse, for instance:
The *.gro file was; molecule 8 1MOL1 ... 1MOL1 ... 1MOL1 ... 1MOL1 ... 2MOL2 ... 2MOL2 ... 2MOL2 ... 2MOL2 ... so after MD simulation the *.gro file was modified, for example: molecule 8 1MOL2 ... 1MOL2 ... 1MOL2 ... 1MOL2 ... 2MOL1 ... 2MOL1 ... 2MOL1 ... 2MOL1 ... Why do this occur in gro output file? would it will be that *.xtc and *.trr also was written as *.gro file? How can I to correct it? What do I do, please? Thanks! regards, Luciano Tavares -- ### Luciano Tavares da Costa ### Laboratory of Molecular Spectroscopy ## IQ - University of Sao Paulo - Brazil ## http://lem.iq.usp.br;[EMAIL PROTECTED] ##################################
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