[gmx-users] reverse transformation with dihedral restraints

Hello, I'm trying to do a reverse transformation from coarse grained to all atom following the MARTINI tutorial and applying it to my system. I have manually added the dihedral restraint section to my topology and now, when I try to run the g_fg2cg command I get the following error: calling cpp...

Re: [gmx-users] reverse transformation

Hi Francesca, Can you post your complete workflow? Cheers, Tsjerk On Feb 16, 2012 7:04 PM, "francesca vitalini" < francesca.vitalin...@gmail.com> wrote: Hi all! I'm having some issues with the reverse transformation, so I decided to start from a toy system, alias the 1UBQ present in the martin

[gmx-users] reverse transformation

Hi all! I'm having some issues with the reverse transformation, so I decided to start from a toy system, alias the 1UBQ present in the martini tutorial. After running the ./martinize script., before any energy minimization, I try to reverse the transformation and I encounter the following error mes

[gmx-users] reverse transformation

Hi! I posted a message before regarding the reverse transformation with g_fg2cg command. Now I have managed to re-numerate correctly the residues so that it doesn't complain about it but I have come across a different problem. when I run the command it doesn't recognize the ions NA+. So I was wonde