Re: [gmx-users] structure file long chains

2010-06-09 Thread Justin A. Lemkul
Moeed wrote: I dont know if the hdb file is correct. Actually I want to learn how it works. The .hdb file works. I've used it :) Did you try it yourself with the examples posted? 1- Manual says the third columns are name of new H atoms (here, H1, H2). why are they not the same as th

[gmx-users] structure file long chains

2010-06-09 Thread Moeed
I dont know if the hdb file is correct. Actually I want to learn how it works. 1- Manual says the third columns are name of new H atoms (here, H1, H2). why are they not the same as those in rtp file (H11, H12). There is no H1 and H2 in rtp file ( http://lists.gromacs.org/pipermail/gmx-users/2009-M