[gmx-users] calculate RDC from MD trajectory

Dear all, I want to compare the RDC data from MD simulation of a protein with those derived from RDC. I was wondering whether there is any program or implementation for calculation of RDC in gromacs.. There have been studies which have computed RDC from md simulation trajectories, for example, .

Re: [gmx-users] Re: Fatal error: Atomtype O2 not found

@ram... why dont u post what u did along with the part of the structure/file attached ... and what is the error and what u did to rectify... and as per as i know, if u are working with DNA system along with CHARMM forcefield, u should be careful with the atom types ... since u haven't mentioned.

[gmx-users] RMSF calculations

Dear all, I have a set of proteins(in pdb format) in which some are solved by X-ray diffraction and some by NMR. I have done the md simulation of these proteins using gromacs for 30ns [For NMR structures, i have taken the first model as the starting structure] Now, that i want to calculate the RMS