Re: [gmx-users] Re: Error during CNP simulation

2012-10-30 Thread Justin Lemkul
On 10/30/12 3:28 AM, Bharath K. Srikanth wrote: Hi Chris My EM works just fine if I use a cubical box of water, so I'm baffled as to what's going wrong in this case. I tried the entire process again, this time removing position restraints. Let me describe my entire procedure on this occasion,

[gmx-users] Re: Error during CNP simulation

2012-10-30 Thread Bharath K. Srikanth
Hi Chris My EM works just fine if I use a cubical box of water, so I'm baffled as to what's going wrong in this case. I tried the entire process again, this time removing position restraints. Let me describe my entire procedure on this occasion, once again: 1) I first assembled a bilayer of 128

[gmx-users] Re: Error during CNP simulation

2012-10-28 Thread Bharath K. Srikanth
Hi Chris, You're right, my resizing from 7.5 nm to 15 nm refers to the dimension normal to the lipid bilayer (in this case, the x dimension) My bilayer center of mass is at around +3 nm, and I placed the CNP at around 10 nm to start with. I had periodic boundary conditions employed in all three d