No, the residue names are the those from the .top file. But that's not the
same as the moleculetypes. You have to change the residue names in the [
atoms ] section.
Cheers,
Tsjerk
On Sun, May 26, 2013 at 12:57 AM, Mark Abraham mark.j.abra...@gmail.comwrote:
AFAIK, the residue names in the
Great, thank you that did the trick. My fault for not realizing this
earlier.
Best,
Reid
On Sun, May 26, 2013 at 2:12 AM, Tsjerk Wassenaar tsje...@gmail.com wrote:
No, the residue names are the those from the .top file. But that's not the
same as the moleculetypes. You have to change the
AFAIK, the residue names in the mdrun output .gro file are those of the
structure file you gave to grompp.
Mark
On Sun, May 26, 2013 at 12:31 AM, Reid Van Lehn rvanl...@gmail.com wrote:
Hello,
I am simulating a lipid bilayer and wish to apply position restraints to
only a subset of the
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