Re: [gmx-users] current directory files

Thanks a lotnow it's working:) On Fri, Jun 15, 2012 at 2:00 PM, Mark Abraham wrote: > On 15/06/2012 6:21 PM, tarak karmakar wrote: > > Hi, > > Thanks for the reply. > One thing, while giving the '-ff' flag it is asking for some string. So I > renamed all my force field files as exc

Re: [gmx-users] current directory files

On 15/06/2012 6:21 PM, tarak karmakar wrote: Hi, Thanks for the reply. One thing, while giving the '-ff' flag it is asking for some string. So I renamed all my force field files as except spc.itp and ions.itp. Renamed files are . 1) ffprot.atp 2) ffprot.rtp 3) ffprot.itp [ includes ffn

Re: [gmx-users] current directory files

Hi, Thanks for the reply. One thing, while giving the '-ff' flag it is asking for some string. So I renamed all my force field files as except spc.itp and ions.itp. Renamed files are . 1) ffprot.atp 2) ffprot.rtp 3) ffprot.itp [ includes ffnonbonded.itp and ffbonded.itp ] pdb2gmx -f test.p

Re: [gmx-users] current directory files

On 15/06/2012 4:27 PM, tarak karmakar wrote: Dear All, In my protein pdb file I have changed some of the amino acid residue names. So accordingly I have changed corresponding residue names in force filed files and kept all the files [ modified and unmodified ] in my current working dir

[gmx-users] current directory files

Dear All, In my protein pdb file I have changed some of the amino acid residue names. So accordingly I have changed corresponding residue names in force filed files and kept all the files [ modified and unmodified ] in my current working directory. Those files are 1) atomtypes.atp 2) amino