[gmx-users] Protein ligand simulation

DEEPANSHU SINGLA deepanshusingla99 at gmail.com
Sat Sep 28 11:37:51 CEST 2019


I am trying to learn protein ligand simulation. I tried to follow the steps
for lysozyme using the GROMACS tutorial. I received the following error:

*ERROR 1 {file jz4.itp, line 183]:*
* No default Proper Dih. types*


*ERROR 2 [file jz4.itp, line 194]:*
* No default Proper Dih. types*

*Fatal error: *
*Syntax error -File forcefield.itp, line 10*
*Last line resd:*
*'{defaults]'*
*Invalid order for directive defaults*

Please help me resolve this error.

Thanking you in advance.

Deepanshu Singla


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