Re: [gmx-users] including non standard amino acid CSD in topology file

2011-03-21 Thread Justin A. Lemkul
ashutosh srivastava wrote: Thank You However what i wanted to ask was about the parameters to be used. So it would be helpful if someone could guide as to how can i get the parameters that should be used for 3-sulfinoalanine (CSD). http://www.gromacs.org/Documentation/How-tos/Parameterizat

Re: [gmx-users] including non standard amino acid CSD in topology file

2011-03-21 Thread ashutosh srivastava
Thank You However what i wanted to ask was about the parameters to be used. So it would be helpful if someone could guide as to how can i get the parameters that should be used for 3-sulfinoalanine (CSD). Ashutosh On Thu, Mar 17, 2011 at 8:37 PM, Justin A. Lemkul wrote: > > > ashutosh srivast

Re: [gmx-users] including non standard amino acid CSD in topology file

2011-03-17 Thread Justin A. Lemkul
ashutosh srivastava wrote: hello I am using OPLS AA FF and my protein contains a non standard amino acid CSD for which the topology parameters are not present . Can someone tell how to include CSD into topology file? http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Fo

[gmx-users] including non standard amino acid CSD in topology file

2011-03-17 Thread ashutosh srivastava
hello I am using OPLS AA FF and my protein contains a non standard amino acid CSD for which the topology parameters are not present . Can someone tell how to include CSD into topology file? ashu -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-u