[gmx-users] Protein ligand simulation topology

resolve this issue. Thanking you in advance. Sincerely Deepanshu SIngla -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe

[gmx-users] Protein ligand simulation

are not equivalent! ERROR: could not detect CGenFF version. Exiting Please help me resolve the error. Thanking you in advance. Deepanshu Singla -- 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] Protein ligand simulation

error: * *Syntax error -File forcefield.itp, line 10* *Last line resd:* *'[defaults]'* *Invalid order for directive defaults* Please help me resolve this error. Thanking you in advance. Deepanshu Singla -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support

[gmx-users] Protein ligand simulation

error: * *Syntax error -File forcefield.itp, line 10* *Last line resd:* *'{defaults]'* *Invalid order for directive defaults* Please help me resolve this error. Thanking you in advance. Deepanshu Singla -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support

[gmx-users] Reparametrization of ligan topology

> > I have generated the ligand topolgy by following the steps mentioned in > the gromacs tutorial and using charmm CGenFF. The penalty scores is more > than 50. I tried to follow the tutorial for reparameterization (available > on the MacKerell lab website). I couldn't follow the tutorial

[gmx-users] Manual reparameterization for ligand topology

attaching the str file of ligand generated by using the CGenFF server. Thanks, Deepanshu Singla -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Re: [gmx-users] Using grace in windows

Thank you Mr. Micholas D. for the reply. Sir is it possible to use qtgrace by using linux subsystem command line. If so then can you please tell me the commands to do so. Deepanshu On Wed, 8 May 2019, 19:14 DEEPANSHU SINGLA, wrote: > I am trying to plot graph from gromacs generated

[gmx-users] Using grace in windows

I am trying to plot graph from gromacs generated xvg files in windows 10 using Linux subsystem command line. I installed grace using the same command line. When I try to plot the graph using grce in the command line by using the following command : xmgrace filename.xvg I get the following