Re: [gmx-users] Adding TPO and SEP to G53a6 Forcefield

2014-02-26 Thread lalithkumar
Dear Dr. Justin, Thank you for pointing out the details of error. I have missed out the version of GROMACS I have been using and so I would like to let you know that my version is 4.5.7. In this version ffnonbonded.itp file of the gromos53a6.ff forcefield doesnt have pairtypes fr LJ-14

[gmx-users] Adding TPO and SEP to G53a6 Forcefield

2014-02-22 Thread lalithkumar
Dear gromacs users, I have got two phosphorylated residues Tyrosine (TPO) and Serine (SEP) in A and B chains of my heterotrimer homology model. So, I went with the step by step process suggested by GROMACS at the link:http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field