I forgot to mention that i am using OPLS-AA/L all-atom force field.
On Fri, Mar 9, 2012 at 11:21 AM, pragna lakshmi pragna...@gmail.com wrote:
Dear Gromacs Users,
I need to simulate a protein that has N-acetyl glucosamine
(NAG). Since NAG residue is not present in residue
On 9/03/2012 4:56 PM, pragna lakshmi wrote:
I forgot to mention that i am using OPLS-AA/L all-atom force field.
On Fri, Mar 9, 2012 at 11:21 AM, pragna lakshmi pragna...@gmail.com
mailto:pragna...@gmail.com wrote:
Dear Gromacs Users,
I need to simulate a protein that
Thank u so much Mark. Is there any parameterization to mention forcefield
and co ordinates in aminoacids.rtp in the fields of atoms, bonds (like
C1opls_195 +0.3651 ). I checked the co ordinates in .pdb and .rtp
files. Both are not the same.
On Fri, Mar 9, 2012 at 11:56 AM, Mark
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