I am only able to find CHARMm, cff and MMFF as the option for force field in discovery studio.
Discovery Studio > Simulation > Forcefield (CHARMm, CHARMm Polar H, Charmm 19, 22, 27, 36, cff, MMFF)
In Discovery Studio, one can only minimize the small molecules using the existing force fields only.However, you can use other softwares for the same.
I am working on a biosensing project on paper substrate, however, it is found that the RNase contamination occurs on the filter paper. Might I ask is there any method to clean the paper surface...
12 February 2021 3,926 3 View
Hi everyone, I would really appreciate it if someone can tell me when and why a raw fluorescence starts below zero. In the picture attached below the blue colour curve starts from a negative...
09 February 2021 4,642 3 View
This is a follow-up on an earlier question regarding mechanistics of vaccines: why current vaccines don't block transmission. In summary, they don't engage mucosal immune cells to produce IgA....
08 February 2021 8,321 3 View
In Abaqus I know that there are two methods for incrementation (Automatic and fixed incrementation). I want to control the incrementation by myself. I want to input the values of load increment...
03 February 2021 6,943 3 View
Dear all. I'm modeling the RC column with cyclic displacement by Abaqus-Explicit. The concrete model used Concrete Plastic Damage model. However I'm facing with a error about the excessive...
01 February 2021 7,726 1 View
As many researcher have confirmed that phytic acid content basically present in cereals and legumes crop that responsible for limiting bioavailability of micronutrients (Fe and Zn) in seeds. Lets...
31 January 2021 5,556 8 View
Hi, I'm trying to analyze a Kratky plot generated from my SAXS data. I am seeing multiple bell-shaped curves in my Kratky plot and I am not able to find any source to get relevant info on this...
20 January 2021 2,474 1 View
Hi, I'm doing 5/40nm In/Au e-beam evaporation at rates 0.2A/s(for In),1A/s(Au) on lithographically(doubly coated 495k,950k PMMA e-beam resist) done Si substrate at base pressure 2e-6torr. I'm...
18 January 2021 7,550 4 View
I am facing a problem that cellular debris observed in my SHSY5Y cells. I have seeded the cells in DMEM media with 10% FBS in T-25/ 60mm dish (antibiotic used PEN-Strepand gentamycin). I have also...
17 January 2021 3,074 3 View
I am trying to import an Abaqus .inp file to Ansys but it does not import the whole assembly but only imports a single part. How to solve this.
17 January 2021 5,450 3 View
Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1
17 August 2021 0 0 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
20 June 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View