We used LigBuilder, but in our results the molecules don't have their valency fully filled. Can we modify the result which have molecules that do not have full-filled valence parameter or should we leave these results.
I am working on long and short noncoding rnas in plants. I have a dataset of 53 microRNA genes in plants. Please suggest me how to analyse these micro rna genes through SVM technique. Please guide me.
01 February 2016 2,154 2 View
hello guys. I am working on noncoding rna (short & long both). which method is better to build secondary structure of ncRNA? what criteria should be taken for precursor sequence up &...
10 November 2015 4,199 1 View
How to install pass on a linux machine?
31 December 2013 6,161 7 View
I am trying pdb2gmx command for MD simulation. but the output of pdb2gmx is not working properly in-case of multiple chains. the output file of pdb2gmx >>> .pdb or .gro was not generated. ERROR...
10 November 2013 8,584 5 View
I am working on molecular dynamics simulation in Gromacs. The output of the pdb2gmx is not working properly: only the .itp file and the .top file generate, not the .pdb/.gro files (output files).
09 October 2013 2,011 4 View
Can anyone provide the full procedure for ligand binding site through PASS software?
07 August 2013 8,977 1 View
I have a confusion for CL- ions in genion command.
06 July 2013 3,646 3 View
I found another error through grompp_genion command: command used: grompp_d -f em -c 1chl-b4em.gro -p 1chl.top -o 1chl-4em-1.gro > grompp_b4em_agenion.output ERROR: Program grompp_d, VERSION...
06 July 2013 7,318 1 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