[gmx-users] N/A

2007-01-25 Thread sangeeta
Dear All, I apologize to all of you because my sent messeges are repeated for more than once because of some server problem, I do not know whether you also are facing the same sort of problem, because I am getting my messege for more than 4 times, So please ignore the messege if it

[gmx-users] N/A

2007-01-25 Thread sangeeta
Dear All, I apologize to all of you because my sent messeges are repeated for more than once because of some server problem, I do not know whether you also are facing the same sort of problem, because I am getting my messege for more than 4 times, So please ignore the messege if it

[gmx-users] N/A

2007-01-23 Thread sangeeta
Dear Sir, I have three questions, My protein has +2 charge, so I added two Cl atoms through the program genion and subsequently edited the topol.top file, in spite of that while running mdrun it gave an error that "FATAL error, CL atom type can not be found",I can not understand the

Re: [gmx-users] N/A

2007-01-22 Thread Mark Abraham
Florian Haberl wrote: hi, On Friday 19 January 2007 15:25, sangeeta wrote: Dear Sir, I have three questions, My protein has +2 charge, so I added two Cl atoms through the program genion and subsequently edited the topol.top file, in spite of that while running mdrun it gave an erro

Re: [gmx-users] N/A

2007-01-22 Thread Florian Haberl
hi, On Friday 19 January 2007 15:25, sangeeta wrote: > Dear Sir, > > I have three questions, > > My protein has +2 charge, so I added two Cl atoms through the program > genion and subsequently edited the topol.top file, in spite of that while > running mdrun it gave an error that "FATA

[gmx-users] N/A

2007-01-22 Thread sangeeta
Dear Sir, I have three questions, My protein has +2 charge, so I added two Cl atoms through the program genion and subsequently edited the topol.top file, in spite of that while running mdrun it gave an error that "FATAL error, CL atom type can not be found",I can not understand th

Re: [gmx-users] N/A

2006-06-07 Thread Jochen Hub
sangeeta wrote: Hi, Can anyone suggest me is it possible to carry a minimisation followed by MD simulation in Groamcs in a water box keeping both the ligand and the substrate fixed?The backbone of the protein will also be fixed. You can use position restraints on all molecules you want to f

[gmx-users] N/A

2006-06-07 Thread sangeeta
Hi, Can anyone suggest me is it possible to carry a minimisation followed by MD simulation in Groamcs in a water box keeping both the ligand and the substrate fixed?The backbone of the protein will also be fixed. regards SANGEETA KUNDU JUNIOR RESEARCH FELLOW BOSE INSTITUTE KOLKATA -- Open WebMa