Dear Justin, Would you please tell me how, give me an example code, because I'm a novice?
Thanks in advance, Marwa On Fri, Feb 14, 2020, 4:33 AM Justin Lemkul <[email protected]> wrote: > > > On 2/13/20 1:33 PM, Marwa Abd El Kader wrote: > > Dear gmx-users mailing list team, > > I want to know how to fix the separation of 2 chains after the production > > run. I'm trying different combinations of trjconv after creating an index > > file having a specific residue(s) on the interface between the 2 chains, > > but nothing is working. I fixed this issue before but when there was only > > one chain, now with 2 chains, I don't know how to rejoin them together > > again. Can you suggest me any solution, please?! > > *N.B: the 2 chains are considered as one when selected in VMD > > Center on a single chain rather than trying to work with the interface > residues. > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > [email protected] | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > 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 requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- 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 requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
