[gmx-users] CHARMM2GMX

[Justin Lemkul]

On 10/4/17 8:36 AM, Sergio Manzetti wrote:
> 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.
> 

Comment out the version check. If you have further problems using the script, 
just contact me as this is not a GROMACS issue.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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