Hi I created a topology file using prodrg for glutathione which I put into the correct ff file in ~/top. Upon running pd2gmx
I get
Fatal error:
in .rtp file in residue GTT at line:
1 OM 1 GTT O11 1 -0.225 15.9994'
On inspection I see the topology format is wrong. How should I proceed?
Gavin.
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