Re: [gmx-users] error in grompp step

Dear Mark sir, Thank you... I will try with the later versions. I am actually using modified version of gromacs-4.6.2[by J S Hub et al.,] , for calculating swaxs(small and wide angle x ray scattering) profiles and swaxs driven MD. I will learn to incorporate swaxs driven MD to later versions with

Re: [gmx-users] error in grompp step

Hi, You should probably also avoid using software that is five years old and no longer supported with bug fixes... Mark On Tue, Mar 20, 2018 at 6:09 AM Upendra N wrote: > Dear Justin sir, > > Thank you very much I tried that also but same errors were coming. > > I

Re: [gmx-users] error in grompp step

Dear Justin sir, Thank you very much I tried that also but same errors were coming. I will try it out again sir With Regards Upendra N -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post?

[gmx-users] Error in grompp step

Dear gromacs users, I am doing protein-Ligand simulation using gromacs-4.6.2 with charmm36 forcefield. I have generated protein topology using pdb2gmx and ligand topology using the CGenFF-webservice and cgenff_charmm2anton.py (to convert *.str to *.itp and cordinates)

Re: [gmx-users] error in grompp step

On 3/19/18 10:05 AM, Upendra N wrote: Dear gromacs users, I am doing protein-Ligand simulation using gromacs-4.6.2 with charmm36 forcefield. I have generated protein topology using pdb2gmx and ligand topology using the CGenFF-webservice and cgenff_charmm2anton.py (to convert *.str to *.itp

[gmx-users] error in grompp step

Dear gromacs users, I am doing protein-Ligand simulation using gromacs-4.6.2 with charmm36 forcefield. I have generated protein topology using pdb2gmx and ligand topology using the CGenFF-webservice and cgenff_charmm2anton.py (to convert *.str to *.itp and cordinates)

[gmx-users] error in grompp step

Dear gromacs users, I am doing protein-Ligand simulation using gromacs-4.6.2 with charmm36 forcefield. I have generated protein topology using pdb2gmx and ligand topology using the CGenFF-webservice and cgenff_charmm2anton.py (to convert *.str to *.itp and cordinates)