[gmx-users] Invalid order for directive X
kh.amine1 at gmail.com
Mon Jul 10 15:59:36 CEST 2017
Thank you for your quick reply.
You mean by 'the acpype files must be edited to have all the atom types in
a block before any of the molecules' all the files with GMX as I have used
There are many files for charmm, opls, ...
In my case, I should see the following files: ACT_GMX.gro. ACT_GMX.itp,
Ph.D. Biology and Health
Biochemistry & Bioinformatics
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