Re: [gmx-users] eliminating forces on certain direction

2009-10-13 Thread 吴鹏
Hi Mark, What you said reminds me to think deeply about my speculation. Thanks for your remind and I hope to discuss it with you when I get some ideas on that. Peng Wu On Tue, Oct 13, 2009 at 10:02 AM, Mark Abraham wrote: > 吴鹏 wrote: > >> Hi Mark, >> >> Haha. Yes, your words is right. My object

Re: [gmx-users] eliminating forces on certain direction

2009-10-13 Thread Mark Abraham
吴鹏 wrote: Hi Mark, Haha. Yes, your words is right. My objective is to study the interaction between ions and walls. I think the ions may be attached in the wall so the velocity getten from MD simulation is always bigger than the continuum theory's prediction. So I want to build a simulation o

Re: [gmx-users] eliminating forces on certain direction

2009-10-13 Thread 吴鹏
Hi Mark, Haha. Yes, your words is right. My objective is to study the interaction between ions and walls. I think the ions may be attached in the wall so the velocity getten from MD simulation is always bigger than the continuum theory's prediction. So I want to build a simulation on which ion can

Re: [gmx-users] eliminating forces on certain direction

2009-10-12 Thread Mark Abraham
?? wrote: Hi GMX users, I am doing a modified simulation which requires to eliminate an interaction at certain direction while remain the interaction at other directions. Since the itp files contain the C6 C12 of the interaction, it is impossible to only remain the interaction a one direction

[gmx-users] eliminating forces on certain direction

2009-10-12 Thread 吴鹏
Hi GMX users, I am doing a modified simulation which requires to eliminate an interaction at certain direction while remain the interaction at other directions. Since the itp files contain the C6 C12 of the interaction, it is impossible to only remain the interaction a one direction while eliminat