[gmx-users] Format for predefined positions insert-molecules

Svetomir Hitov svethitov at gmail.com
Wed Mar 29 18:52:10 CEST 2017


I have been going through the documentation and mailing list for the last
couple of days, but I cannot find anywhere, what the format for the
predefined insertion trial positions should be. Insert-molecules should use
that file to place molecules inside the box in certain places. I have tried
plain text file with several coordinates. Insert-molecules is not giving any
error but yet it is inserting molecules randomly. I want to make it insert
molecules just in one half of the box.
Thank you in advance! 

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