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

hi..thank you. Got it. Annie AlbinOn 5/29/06, X.Periole <[EMAIL PROTECTED]> wrote: On Mon, 29 May 2006 12:14:04 +0530  "Annie Albin" <[EMAIL PROTECTED]> wrote:> Hi all,>>   I would like to know if there is a way by which we >can get to know> the coor

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

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

Re: [gmx-users] error in pdb2gmx step

True. I checked the files and found that CO was not described in any of them and I did take care of the replacement ot A with a blank.  Well in this case do I have any alternatives? Like other compatible force fields or modification of the existing one. Annie Albin. On 3/31/06, MGiò <[EM

Re: [gmx-users] error in pdb2gmx step

uot;Fatal error: 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, MGiò <[EMAIL PROTECTED]> wrote: Hi!it seems that pdb2gmx

[gmx-users] error in pdb2gmx step

suggestions would be of great 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