Re: [gmx-users] Fatal error: Could not find frame with time

2013-01-29 Thread Devika N T
thank u Mark * Regards** N.T. Devika* On Tue, Jan 29, 2013 at 1:43 PM, Mark Abraham wrote: > On Tue, Jan 29, 2013 at 8:24 AM, Devika N T > wrote: > > > *Hi All > > > > * > > *I have completed 2ns simulation and I was extending my simu**lation for >

Re: [gmx-users] "residuetype.dat" file missing

2013-01-16 Thread Devika N T
users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] > On Behalf Of Devika N T > Sent: Thursday, 17 January 2013 4:34 PM > To: Discussion list for GROMACS users > Subject: [gmx-users] "residuetype.dat" file missing > > Hi all > > I Could not figure ou

Re: [gmx-users] Warning _mesage

2013-01-16 Thread Devika N T
Thank you Justin for your valuable suggestion. I will follow it up. * Regards** N.T. Devika* On Wed, Jan 16, 2013 at 6:16 PM, Justin Lemkul wrote: > > > On 1/16/13 7:38 AM, Devika N T wrote: > >> Thank you Justin for your reply. >> >> I need to per

Re: [gmx-users] Warning _mesage

2013-01-16 Thread Devika N T
n residue topology database, trying to use 'CA2+' So I thought in version 4.5.5 it will have the residuetype.dat file updated with calcium. Fine let me try by adding calcium to residuetypes.dat Anyway I cannot consider "calcium ion" as ligand right? * Regards** N.T.