[gmx-users] Coordinates of the Centre of Mass.

2006-05-29 Thread Annie Albin
Hi all, I would like to know if there is a way by which we can get to know the coordinates of the centre of mass for the molecule/system? Since new to this fieldany suggestions would be of great help. Thank you, Annie Albin. ___ gmx-users mailing

[gmx-users] error in pdb2gmx step

2006-03-31 Thread Annie Albin
help. Thank you, Annie Albin. ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read

Re: [gmx-users] error in pdb2gmx step

2006-03-31 Thread Annie Albin
: Residue 'CO' not found in residue topology database. Will be glad to hear any suggestions. Is there any other way in GROMACS to handle proteins with metal ions in it? Thank You, Annie Albin. On 3/31/06, MGiĆ² [EMAIL PROTECTED] wrote: Hi!it seems that pdb2gmx has detected an interruption in your