Yogeshwar Vikram Dhar

3 Questions 5 Answers 0 Followers

Questions related from Yogeshwar Vikram Dhar

Problem in adding other molecule in system for molecular dynamics

Hello all, i am working on a protein complex. For a certain analysis, i am trying to add ethylene molecule in system (Protein + water), to check the variation in system. I have inserted 10...

04 July 2017 7,409 3 View

How to define option in g_rms in PBS file

Hello everyone, i am working on gromacs tool (V 4.6.5). Server, in which we work, accepts PBS for job runs. I have prepared my .tpr file on local machine and performed the mdun on server. As my...

17 May 2017 8,194 11 View

I am working on DNA-protein complex MD in gromacs, how ever stuck on a step where in grompp step getting 'Fatal error: No such moleculetype DNA' ?

I am interested in DNA-protein MD. I have a custom made structure of a DNA motif, i have edited it (from ATGC to DA, DT, DG, DC) for gromacs and generated topology using amber99sb-ildn.ff. After...

13 February 2017 4,520 4 View