Re: [gmx-users] Dear Sir

2013-06-27 Thread Justin Lemkul
On 6/27/13 5:59 AM, Sathish Kumar wrote: Fatal error: [ file spc.itp, line 32 ] Atom index (1) in bonds out of bounds (1-0). This probably means that you have inserted topology section "settles" in a part belonging to a different molecule than you intended to. in that case move the "settles" se

[gmx-users] Dear Sir

2013-06-27 Thread Sathish Kumar
Fatal error: [ file spc.itp, line 32 ] Atom index (1) in bonds out of bounds (1-0). This probably means that you have inserted topology section "settles" in a part belonging to a different molecule than you intended to. in that case move the "settles" section to the right molecule the above error

Re: [gmx-users] Dear Sir !

2008-12-18 Thread Carsten Kutzner
On Dec 18, 2008, at 10:25 AM, Venkat Reddy wrote: how to save the coordinates of atoms at regular intervals that were generated during "mdrun" ?? Is it automatic or we need to modify .mdp file Hi, The 'nstxout' and 'nstxtcout' entries in the mdp file allow you to set how often the c

[gmx-users] Dear Sir !

2008-12-18 Thread Venkat Reddy
how to save the coordinates of atoms at regular intervals that were generated during "mdrun" ?? Is it automatic or we need to modify .mdp file Venkat Reddy Chirasani M.Tech Bioinformatics UNIVERSITY OF HYDERABAD ___ gmx-users mailing listgmx-u