[gmx-users] on "Invalid order for directive defaults"
brettliu123 at 163.com
Wed May 11 16:54:29 CEST 2016
In http://www.gromacs.org/Documentation/Errors?highlight=errors#Invalid_order_for_directive_xxx, it writes,
"In particular, "Invalid order for directive defaults" is a result of defaults being set in the topology or force field files in the inappropriate location; the [defaults] section can only appear once and must be the first directive in the topology".
In the topol.top file, can I have 2 different gromacs force fields (for example 1 amber force filed for protein and 1 gromos 54a7 for the ligand)? And if can, how can we process so that "[defaults] section can only appear once and must be the first directive in the topology", which also means, how can we process so that he "[defaults] section was deleted from the second force field?
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