[gmx-users] How to configure the gro/itp/top files after running "insert-molecules"?

yujie liu liuyujie714 at gmail.com
Mon Aug 7 15:51:26 CEST 2017

The .top file of protein has included itself all parameters, so now you only copy gly.gro into protein.gro and changed the number of atoms. Then using #include”  ” lines to add gly.itp into protein.top in suitable position and changed [molecules] options to add the name and number of gly molecule. Note the information of posre_gly.itp.

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