[gmx-users] Invalid order for directive atomtypes

2011-05-03 Thread Geethu Issac
/Documentation/Errors --- * The pdb file i have downloaded from 3DSDSCAR. I tried several times with the same but am encountering the same error.Can anyone please give me some guidelines or solution for the same. Thanks in advance, -- *Geethu

[gmx-users] Re: gmx-users Digest, Vol 85, Issue 19

2011-05-03 Thread Geethu Issac
@gromacs.org Message-ID: 4dbfd24b.9030...@anu.edu.au Content-Type: text/plain; charset=iso-8859-1 On 3/05/2011 7:13 PM, Geethu Issac wrote: Hello Users, I am a final year project student.I am doing simulation of gangliosdie gm1 using gromacs 4.5.4. I am encountering an error in the energy

[gmx-users] Invalid order for directive atomtypes

2011-05-03 Thread Geethu Issac
Thanks Mark.I will check with the format specified and am really sorry for the inconvenience. -- *Geethu Issac* * A life spent making mistakes is not only more honorable, but more useful than a life spent doing nothing. -George Bernard Shaw* -- gmx-users mailing listgmx-users@gromacs.org

[gmx-users] Invalid order for directive atomtypes

2011-04-05 Thread Geethu Issac
hello friends, I am doing simulation of ganglioside gm2 and am getting the following error. Fatal error: Syntax error - File gm2gang.top, line 6 Last line read: '[ atomtypes ] ' Invalid order for directive atomtypes Can anyone please help me in this.I am new to gromacs. -- *Geethu Issac

[gmx-users] Gromacs for carbohydrates

2011-03-28 Thread Geethu Issac
*Hello Users,* *I am doing simulation of gm2 ganglioside using GROMACS.Can anyone please help me in knowing the parameterization of carbohydrates and also any tutorial for simulation of carbohydrates using GROMACS.* *Thanks in advance* -- *Geethu Issac* * * -- gmx-users mailing listgmx