Re: [gmx-users] top file definitions_1

2008-08-06 Thread Justin A. Lemkul
[EMAIL PROTECTED] wrote: Dear Community, I am trying to manually define a .top file of an organic molecule (a modified bisphosphonate). I am not a gromacs user but a lab mate is, so he will make the run. It has been several days since I started to search for a text where the .top format is

[gmx-users] top file definitions_1

2008-08-06 Thread [EMAIL PROTECTED]
Dear Community, I am trying to manually define a .top file of an organic molecule (a modified bisphosphonate). I am not a gromacs user but a lab mate is, so he will make the run. It has been several days since I started to search for a text where the .top format is depicted in detail but the o