Re: [gmx-users] wat is the way to solve this prob

David van der Spoel wrote: vijay kumar wrote: what is way to solve this prob Chain identifier '5' was used in two non-sequential blocks (residue 4, atom 4) oh and since this is not a biomolecule, don use pdb2gmx. search the list. your pdb file is a complete mess. it has fixed format. search

Re: [gmx-users] wat is the way to solve this prob

vijay kumar wrote: what is way to solve this prob Chain identifier '5' was used in two non-sequential blocks (residue 4, atom 4) your pdb file is a complete mess. it has fixed format. search internet. don't use tabs only spaces the pdb file is for Si atoms no. of atoms 32 at differeent places

[gmx-users] wat is the way to solve this prob

what is way to solve this prob Chain identifier '5' was used in two non-sequential blocks (residue 4, atom 4) the pdb file is for Si atoms no. of atoms 32 at differeent places ATOM 1 Si.66599000 .66599000 .66599000 ATOM 2 Si 7.30599000 .66599000 .66599000 ATOM