Hello again,
This what I have been trying to do so far. This is the command to run the
script:
./cgenff_charmm2gmx.py PTC 2e7z-ptc.mol2 2e7z-ptc.str charmm36-mar2014.ff
and this is the error I have been getting along with 2 Notes:
NOTE2: Please be sure to use the same version of CGenFF in your
Dear Justin,
Thank you very much for your reply. I have tried the converter but I think
I don't have enough experience to get the CHARMM files working properly
with the converter. If I sent you the files, would it be possible to do it
for me or guide me through it?
Thanks again,
Nicholas
On
On 7/2/14, 10:55 AM, Nikolaos Michelarakis wrote:
Dear Justin,
Thank you very much for your reply. I have tried the converter but I think
I don't have enough experience to get the CHARMM files working properly
with the converter. If I sent you the files, would it be possible to do it
for me
