Re: [gmx-users] error in running pdb2gmx command

2011-06-29 Thread Mark Abraham
On 30/06/2011 1:48 PM, rashi parihar wrote: thanx @justin..I have seen gromacs web site before posting..the solution of my problem was written in gromacs website was " the atom names are expected to match those found in the .rtp file that define the

Re: [gmx-users] error in running pdb2gmx command

2011-06-29 Thread rashi parihar
thanx @justin..I have seen gromacs web site before posting..the solution of my problem was written in gromacs website was " the atom names are expected to match those found in the .rtp file that define the building block(s) in your struct

Re: [gmx-users] error in running pdb2gmx command

2011-06-29 Thread Justin A. Lemkul
rashi parihar wrote: HI all ..while running pdb2gmx command .I am getting error "Fatal error: Atom CT in residue TYR 314 was not found in rtp entry TYR with 20 atoms while sorting atoms" .what this error mean and how can I rectify this problem?plz help me. Please search the mailing list arc

[gmx-users] error in running pdb2gmx command

2011-06-29 Thread rashi parihar
HI all ..while running pdb2gmx command .I am getting error "Fatal error: Atom CT in residue TYR 314 was not found in rtp entry TYR with 20 atoms while sorting atoms" .what this error mean and how can I rectify this problem?plz help me. -- [image: images[12]] “Many Smiles Begin Because Of Anothe