[gmx-users] Invalid order for directive X

[Khadija Amine]

Hi Mark,

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
amberff99sb.

There are many files for charmm, opls, ...

In my case, I should see the following files: ACT_GMX.gro. ACT_GMX.itp,
ACT_NEW.pdb ?

Khadija


*​Khadija Amine*
Ph.D. Biology and Health
Biochemistry & Bioinformatics