Giancarlos Ortega

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Questions related from Giancarlos Ortega

How to solve "ERROR 1 [file popc.itp, line 13]: Atomtype CH3 not found" in GROMACS?

I am trying to run a minimisation for actinomycin D and this error cam up. We checked the .itp file of actinomycin D and the CH3 shows as follows: nr type resnr resid atom cgnr charge...

09 September 2019 2,869 1 View

How to solve 'fatal error: missing residue' bug in GROMACS?

I am doing a minimization for P-glycoprotein in GROMACS and the topology database seems to be missing an 'HG' residue. I've edited the residues.da in the topology file to add HG, but I'm still...

09 September 2019 2,864 2 View