Have a good look in acpype, specially its wiki. There you'll see that acpype
is totally new code and among other things it covers amb2gmx.pl and solves
several of its drawbacks. It's not perfect though but for a system created
in tleap, the project is likely to be completed converted to gmx.
Alan
On 23/12/2010 6:02 PM, gromacs564 wrote:
Hi ,
I have obtained some files(.top,.crd,.pdb) about disaccharide via glycam
web(they are glycam06 force field,included in AMBER) ,but cannot converted
this amber files to gromacs files format.
Can anyone help me to convert this
Have a look at acpype.googlecode.com
Alan
2010/12/23 gromacs564 gromacs...@126.com
Hi ,
I have obtained some files(.top,.crd,.pdb) about disaccharide via glycam
web(they are glycam06 force field,included in AMBER) , but cannot converted
this amber files to gromacs files format.
Hi,
Not sure exactly what you plan to simulate but here are a couple of
potential pitfalls:
Does acpype call amb2gmx.pl or is it new code that converts? If it is a
amb2gmx.pl call I'd check the torsions on the NAc group if you have one.
They didn't get translated when I used it.
When using
Hi ,
I have obtained some files(.top,.crd,.pdb) about disaccharide via glycam
web(they are glycam06 force field,included in AMBER) , but cannot converted
this amber files to gromacs files format. Can anyone help me to convert
this (amber) files to gromacs input files(top or
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