[gmx-users] RIMSP calculation

Hi Gromacs users I am trying to measure the similarity of the subspace sampled by a mutant protein-Ligand complex versus a wild type complex based on the eigen vectors computed using PCA. I was wondering, does and handy scripts does exists to compute the root mean square inner product (

Re: [gmx-users] RIMSP calculation

Hi Vijayan, There must be a script somewhere in the archives (http://www.mail-archive.com/gmx-users@gromacs.org/msg02871.html) that calculates the RMSIP from the XPM file of eigenvector inner products. I have come across many papers where they employ RMSIP to quantify the similarity between

Re: [gmx-users] RIMSP calculation

Hi Tsjerk Many thanks for your kind response. Got the script, will try to run it. Also thanks for clarifying RMSIP vs Cosine content values. Regards Vijayan.R On Thu, Jun 28, 2012 at 10:56 AM, Tsjerk Wassenaar tsje...@gmail.com wrote: Hi Vijayan, There must be a script somewhere in the