Re: [gmx-users] pdb file error

2012-08-22 Thread Sylwia Chmielewska
Thanks. Sylwia - Oryginalna wiadomość - Od: "Justin Lemkul" Do: "Discussion list for GROMACS users" Wysłane: środa, 22 sierpień 2012 14:56:16 Temat: Re: [gmx-users] pdb file error On 8/22/12 8:48 AM, Sylwia Chmielewska wrote: > Thank you for your prompt rep

Re: [gmx-users] pdb file error

2012-08-22 Thread Justin Lemkul
within the manual. Beyond that, even Google searching will turn up useful results within seconds. -Justin Best Regards Sylwia - Oryginalna wiadomość - Od: "Justin Lemkul" Do: "Discussion list for GROMACS users" Wysłane: środa, 22 sierpień 2012 13:50:11 Temat: Re:

Re: [gmx-users] pdb file error

2012-08-22 Thread Sylwia Chmielewska
Wysłane: środa, 22 sierpień 2012 13:50:11 Temat: Re: [gmx-users] pdb file error On 8/22/12 7:44 AM, Sylwia Chmielewska wrote: > Hello, > > I'm new in Gromacs. I'm using gromacs 4.5.3. I need help with pdb format. I > use to convert my file by PRODRG and MN.CONVERT. > I&#x

Re: [gmx-users] pdb file error

2012-08-22 Thread Justin Lemkul
On 8/22/12 7:44 AM, Sylwia Chmielewska wrote: Hello, I'm new in Gromacs. I'm using gromacs 4.5.3. I need help with pdb format. I use to convert my file by PRODRG and MN.CONVERT. I'm trying to create a topology file from the pdb using the pdb2gmx. I get an error. My molecules are quaternary a

[gmx-users] pdb file error

2012-08-22 Thread Sylwia Chmielewska
Hello, I'm new in Gromacs. I'm using gromacs 4.5.3. I need help with pdb format. I use to convert my file by PRODRG and MN.CONVERT. I'm trying to create a topology file from the pdb using the pdb2gmx. I get an error. My molecules are quaternary ammonium salts. My pdb file by MN. CONVERT: HEADER