Re: [gmx-users] re: simulation-rigid

2011-05-10 Thread Justin A. Lemkul
Frank Neuhaus wrote: Hi, I have a protein simulation in which all residues simulate correctly with the exception of five in a loop. These five out of 360 are in a loop (or bend) separate from my area of interest. Thus, I would like to treat them as a rigid sequence. Using the position

Re: [gmx-users] re: simulation-rigid

2011-05-10 Thread Mark Abraham
On 05/11/2011 06:24 AM, Frank Neuhaus wrote: Hi, I have a protein simulation in which all residues simulate correctly with the exception of five in a loop. These five out of 360 are in a loop (or bend) separate from my area of interest. Thus, I would like to treat them as a rigid sequence.