Re: [gmx-users] top file in coarse-grained

2009-10-19 Thread Justin A. Lemkul
Francesco Pietra wrote: Hi Justin: Could you please indicate the location of such scripts? They're on the MARTINI website, but given the further description of your system, they won't solve your problem. What I was referring to were scripts to build protein topologies. They won't help in

Re: [gmx-users] top file in coarse-grained

2009-10-19 Thread Francesco Pietra
Hi Justin: Could you please indicate the location of such scripts? I have no trouble (in generating the .tpr file) with protein partly embedded in a double layer, by counting graphically the lipid residues and W residues remaining after creating the hole for the protein pore region. My trouble is

Re: [gmx-users] top file in coarse-grained

2009-10-19 Thread Justin A. Lemkul
Francesco Pietra wrote: Hi: As I meet recurring problems in coarse-grained of the top file not matching the number of coordinates in coordinate file, is there any way to get the top file automatically like in all-atoms? Editing the top file to this regard proved difficult in my hands. I'm a

[gmx-users] top file in coarse-grained

2009-10-19 Thread Francesco Pietra
Hi: As I meet recurring problems in coarse-grained of the top file not matching the number of coordinates in coordinate file, is there any way to get the top file automatically like in all-atoms? Editing the top file to this regard proved difficult in my hands. thanks francesco pietra ___