Roman Sarrazin-Gendron

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Questions related from Roman Sarrazin-Gendron

How can I prevent GROMACS 5.0 with CHARMM36 from wrongly identifying the residue preceding a phosphorylated amino acid as a C-terminal ?

Dear all, I am using the charmm36 all atom forcefield with GROMACS 5.0 to run an MD simulation on a ~40aa peptide including one phosphorylated tyrosine. The wild-type peptide (attached here as...

05 May 2016 8,635 2 View

How do I correctly install a force field on GROMACS for phosphorylation?

I've been trying to install this new ffG54a7 GROMACS force field for post-translational modifications : http://vienna-ptm.univie.ac.at/?page_id=100 I copied the downloaded folder into the...

07 July 2015 9,846 3 View