Re: [gmx-users] pdb2gmx-4.5 treats DNA as protein (and fails)

2010-08-16 Thread Maiki
David van der Spoel wrote: > On 2010-08-16 14.44, Maiki wrote: >> David van der Spoel wrote: >>> On 2010-08-16 12.34, Maiki wrote: So, anybody knows why it does that or how to deal with nucleic acids? I only saw one similar question asked recently (with different error) which was als

Re: [gmx-users] pdb2gmx-4.5 treats DNA as protein (and fails)

2010-08-16 Thread David van der Spoel
On 2010-08-16 14.44, Maiki wrote: David van der Spoel wrote: On 2010-08-16 12.34, Maiki wrote: So, anybody knows why it does that or how to deal with nucleic acids? I only saw one similar question asked recently (with different error) which was also left without answer. Not all force fields ha

Re: [gmx-users] pdb2gmx-4.5 treats DNA as protein (and fails)

2010-08-16 Thread Maiki
David van der Spoel wrote: > On 2010-08-16 12.34, Maiki wrote: >> So, anybody knows why it does that or how to deal with nucleic acids? >> I only saw one similar question asked recently (with different error) >> which was also left without answer. > Not all force fields have complete support for DN

Re: [gmx-users] pdb2gmx-4.5 treats DNA as protein (and fails)

2010-08-16 Thread David van der Spoel
On 2010-08-16 12.34, Maiki wrote: So, anybody knows why it does that or how to deal with nucleic acids? I only saw one similar question asked recently (with different error) which was also left without answer. Not all force fields have complete support for DNA. Try Charmm. Maiki wrote: Hi, I

Re: [gmx-users] pdb2gmx-4.5 treats DNA as protein (and fails)

2010-08-16 Thread Maiki
So, anybody knows why it does that or how to deal with nucleic acids? I only saw one similar question asked recently (with different error) which was also left without answer. Maiki wrote: > Hi, > > I'm trying to convert protein-DNA complex using pdb2gmx with gromos53a6.ff > > $ pdb2gmx -f del.pdb

[gmx-users] pdb2gmx-4.5 treats DNA as protein (and fails)

2010-08-10 Thread Maiki
Hi, I'm trying to convert protein-DNA complex using pdb2gmx with gromos53a6.ff $ pdb2gmx -f del.pdb -o del.gro -p del.top -i del.itp -n del.ndx -ignh In gromacs version 4.5-beta2 the result is: Processing chain 3 'C' (516 atoms, 25 residues) There are 0 donors and 0 acceptors There are 0 hydrog