Re: [gmx-users] Reg pdb2gmx for Cyclic peptide

2012-09-13 Thread Justin Lemkul
On 9/13/12 11:42 AM, vidhya sankar wrote: Dear Justin Thank you for your Previous reply, sorry for the inconvenience to you personal Mail. I am doing MD Cyclic Peptide When I run pdb2gmx , The Conect Infromation i

Re: [gmx-users] reg pdb2gmx

2011-05-10 Thread Mark Abraham
On 10/05/2011 2:31 PM, vidhya sankar wrote: Dear justin , Thanks for your valuable previous reply Also When i run the pdb2gmx tool i got the following error WARNING: atom O1 is missing in residue PO4 147 in the pdb file WARNING: atom O2 is missing in residue PO4 147 in the pdb file WARNING: at

RE: [gmx-users] Reg pdb2gmx

2006-10-18 Thread Dallas B. Warren
Might be an idea to try a search (http://www.gromacs.org/external/search.html) of the emailing list when you get errors like this. This is a very common one and a significant number of responses are available on the list, archived for future reference. Quick word on what the issue is, pdb2gmx is

Re: [gmx-users] Reg pdb2gmx

2006-10-18 Thread Mark Abraham
Sivashangari Gnanasambandam wrote: Dear all, I am novoice to gromacs. I had created a pdb file using Material studio Modelling. Whe I use this file to convert to top ology file it shows an error that the Error message - Residue 'rea' not found in residue topology database. I had attached th