Hi,
I'm trying to run a umbrella sampling using following pull code:
; Pull code
pull= yes
pull_ngroups= 2
pull_ncoords= 1
pull_group1_name= JZ4
pull_group2_name= Protein_chain_A
pull_coord1_type= umbrella ; harmonic biasing
You just did.
Victor
2016-11-24 14:51 GMT-06:00 Sanim Rahman :
> Hello,
>
> I would like access to post to the mailing list. Thank you!
>
> Regards,
>
> *Sanim Rahman*
> B.S. Chemical Engineering, 2019
> Resident Assistant, Castor Hall Engineering Living Learning Community
> 2016-2017
> Undergra
Hello,
I am currently working through the second tutorial of the Bevan Labs KALP15
simulation. I am attempting to use the keepbyz.pl script to remove the
waters in the hydrophobic core. I have designated a upperz and
lowerz coordinated and followed the entire section highlighted in the
instruction
Hello,
I would like access to post to the mailing list. Thank you!
Regards,
*Sanim Rahman*
B.S. Chemical Engineering, 2019
Resident Assistant, Castor Hall Engineering Living Learning Community
2016-2017
Undergraduate Researcher, Global Center for Hearing and Speech Research
Honors College Engine
Hello: I want to analyze order parameters for a 128 molecules of DPPC/ 128
moleculesDPPE/Drug membrane, but when i run gmx_order -s npt.tpr -f npt.xtc -n
sn1.ndx -d z -od deuter_sn1.xvg, the following error appears: grp 1 does not
have same number of elements as grp 1. I deleted 0-3 (System, DPP
Dear Gromacs users ,
I am new in Gromacs so maybe my question is so elementary question ! sorry
about that.
I want to use lennard-jones 9-3 walls for confining water between them .
But the problem is I don't know how I can set epsilon and sigma for these
walls !
Can you please give me an example
Hi,
I'd suggest it is a combination of 4 and 5.
It is still not completely clear how you are determining if the membrane is
classed as liquid disordered or not and also why you think it is too ordered in
your simulations at 350K (are they in a gel phase or just in a more ordered
state than yo
