[gmx-users] CHARMM2GMX

Sergio Manzetti sergio.manzetti at fjordforsk.no
Wed Oct 4 14:44:35 CEST 2017


Hi, after installing nt, I get: 

NOTE1: Code tested with python 2.7.3. Your version: 2.7.12 (default, Nov 19 2016, 06:48:10) 
[GCC 5.4.0 20160609] 

NOTE2: Please be sure to use the same version of CGenFF in your simulations that was used during parameter generation: 
--Version of CGenFF detected in pfos.str : 3.0.1 

WARNING: CGenFF versions are not equivalent! 


ERROR: Could not detect CGenFF version. Exiting. 








Sergio Manzetti 

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