It is maybe probably general (or in my mdp. file for example or in the
code), i tryed with gromos43a1.ff and it gives the same: SR interaction
are 0.
Fabrizio
>
>
> Fabrizio Marinelli wrote:
>> Here it is my .mdp file, i attach you also the topology file, just to be
>> more specific the one that a
kul"
> Subject: Re: [gmx-users] Problem with Charmm in gromacs
> To: "Gromacs Users' List"
> Message-ID: <4bd998d1.6010...@vt.edu>
> Content-Type: text/plain; charset=ISO-8859-1; format=flowed
>
>
>
> Fabrizio Marinelli wrote:
>> Here it is my
Fabrizio Marinelli wrote:
Here it is my .mdp file, i attach you also the topology file, just to be
more specific the one that are 0 are the SR interactions, thank you very
much.
For diagnostic purposes, can you re-process your structure using a different
force field and try again? If the en
Fabrizio Marinelli wrote:
Hi all,
I have downloaded the latest git version of gromacs (yesterday) in which
it is possible to use the charmm27 force field, I constructed the topology
for my protein using the pdb2gmx program, everything goes ok also with the
solvation, but then when i run the MD
Hi all,
I have downloaded the latest git version of gromacs (yesterday) in which
it is possible to use the charmm27 force field, I constructed the topology
for my protein using the pdb2gmx program, everything goes ok also with the
solvation, but then when i run the MD i notice that coulomb and LJ
i
sarbani chattopadhyay wrote:
hi,
I have followed the process as told by Yuguan Mu.But while using the
comman "pdb2gmax"
I get the following error
Source code file: ter_db.c, line: 85
Fatal error:
Reading Termini Database: expected 3 items of atom data in stead of 1 on
line
N
hi,
I have followed the process as told by Yuguan Mu.But while using the comman
"pdb2gmax"
I get the following error
Source code file: ter_db.c, line: 85
Fatal error:
Reading Termini Database: expected 3 items of atom data in stead of 1 on line
N NH314.0027-0.3000
I
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